N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide

C165H215F3N20O16 — CID 158202205

IUPACN-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide
SMILESCO[C@@H](C(=O)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1.CO[C@@H](CN1CCC(NC(=O)Cc2ccccc2)CC1)[C@H](NC(=O)C1CCC1)c1ccccc1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)C2(O)CCCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)C2CCOCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)N2CCCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccn1)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
InChIInChI=1S/2C28H36FN3O3.2C28H37N3O3.C27H35FN4O2.C26H34N4O2/c29-23-10-6-9-22(20-23)25(31-27(34)28(35)14-4-5-15-28)13-18-32-16-11-24(12-17-32)30-26(33)19-21-7-2-1-3-8-21;29-24-8-4-7-23(20-24)26(31-28(34)22-12-17-35-18-13-22)11-16-32-14-9-25(10-15-32)30-27(33)19-21-5-2-1-3-6-21;1-34-26(22-11-6-3-7-12-22)28(33)29-24-15-18-31(19-16-24)20-17-25(21-9-4-2-5-10-21)30-27(32)23-13-8-14-23;1-34-25(27(22-11-6-3-7-12-22)30-28(33)23-13-8-14-23)20-31-17-15-24(16-18-31)29-26(32)19-21-9-4-2-5-10-21;28-23-10-6-9-22(20-23)25(30-27(34)32-14-4-5-15-32)13-18-31-16-11-24(12-17-31)29-26(33)19-21-7-2-1-3-8-21;31-25(19-23-11-4-5-15-27-23)28-22-12-16-30(17-13-22)18-14-24(20-7-2-1-3-8-20)29-26(32)21-9-6-10-21/h1-3,6-10,20,24-25,35H,4-5,11-19H2,(H,30,33)(H,31,34);1-8,20,22,25-26H,9-19H2,(H,30,33)(H,31,34);2-7,9-12,23-26H,8,13-20H2,1H3,(H,29,33)(H,30,32);2-7,9-12,23-25,27H,8,13-20H2,1H3,(H,29,32)(H,30,33);1-3,6-10,20,24-25H,4-5,11-19H2,(H,29,33)(H,30,34);1-5,7-8,11,15,21-22,24H,6,9-10,12-14,16-19H2,(H,28,31)(H,29,32)/t25-;26-;25-,26+;25-,27+;25-;24-/m000000/s1
InChIKeyGBBOURSJZOOEPG-UVRPBFHESA-N
MW2791.65 g/mol
LogP21.75
Rot. Bonds55

About N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide

N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide (PubChem CID 158202205) has the molecular formula C165H215F3N20O16 and a molecular weight of 2791.65 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide
PubChem CID158202205
Molecular FormulaC165H215F3N20O16
Molecular Weight2791.65 g/mol
Exact Mass2789.66
IUPAC NameN-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide
SMILESCO[C@@H](C(=O)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1.CO[C@@H](CN1CCC(NC(=O)Cc2ccccc2)CC1)[C@H](NC(=O)C1CCC1)c1ccccc1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)C2(O)CCCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)C2CCOCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)N2CCCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccn1)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
InChIInChI=1S/2C28H36FN3O3.2C28H37N3O3.C27H35FN4O2.C26H34N4O2/c29-23-10-6-9-22(20-23)25(31-27(34)28(35)14-4-5-15-28)13-18-32-16-11-24(12-17-32)30-26(33)19-21-7-2-1-3-8-21;29-24-8-4-7-23(20-24)26(31-28(34)22-12-17-35-18-13-22)11-16-32-14-9-25(10-15-32)30-27(33)19-21-5-2-1-3-6-21;1-34-26(22-11-6-3-7-12-22)28(33)29-24-15-18-31(19-16-24)20-17-25(21-9-4-2-5-10-21)30-27(32)23-13-8-14-23;1-34-25(27(22-11-6-3-7-12-22)30-28(33)23-13-8-14-23)20-31-17-15-24(16-18-31)29-26(32)19-21-9-4-2-5-10-21;28-23-10-6-9-22(20-23)25(30-27(34)32-14-4-5-15-32)13-18-31-16-11-24(12-17-31)29-26(33)19-21-7-2-1-3-8-21;31-25(19-23-11-4-5-15-27-23)28-22-12-16-30(17-13-22)18-14-24(20-7-2-1-3-8-20)29-26(32)21-9-6-10-21/h1-3,6-10,20,24-25,35H,4-5,11-19H2,(H,30,33)(H,31,34);1-8,20,22,25-26H,9-19H2,(H,30,33)(H,31,34);2-7,9-12,23-26H,8,13-20H2,1H3,(H,29,33)(H,30,32);2-7,9-12,23-25,27H,8,13-20H2,1H3,(H,29,32)(H,30,33);1-3,6-10,20,24-25H,4-5,11-19H2,(H,29,33)(H,30,34);1-5,7-8,11,15,21-22,24H,6,9-10,12-14,16-19H2,(H,28,31)(H,29,32)/t25-;26-;25-,26+;25-,27+;25-;24-/m000000/s1
InChIKeyGBBOURSJZOOEPG-UVRPBFHESA-N
XLogP21.75
TPSA432.69 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds55
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.65
LogP ≤ 521.75
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Analyze N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide with MolForge

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Related Compounds

4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-1,4-dihydropyrimidine-3,5-dicarboxamide;methyl 4-(3,4-difluorophenyl)-3-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylate;methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylate;methyl 6-(methoxymethyl)-2-oxo-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 157599700
2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide;(4S)-1-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-5-hydroxy-4-phenylpentan-2-one;2-(3-ethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(1S)-2-methoxy-1-phenylethyl]acetamide;(4S)-5-hydroxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;(4S)-5-methoxy-1-(3-methoxy-4-methyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one;N-[(1S)-2-methoxy-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;2-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]acetamide
CID 158118607
4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-1,4-dihydropyrimidine-3,5-dicarboxamide;methane;methyl 4-(3,4-difluorophenyl)-3-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate;methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate;methyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylate;methyl 6-(methoxymethyl)-2-oxo-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylate;pyridine
CID 158863464

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide (CID 158202205) is N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide is CO[C@@H](C(=O)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1.CO[C@@H](CN1CCC(NC(=O)Cc2ccccc2)CC1)[C@H](NC(=O)C1CCC1)c1ccccc1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)C2(O)CCCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)C2CCOCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccc1)NC1CCN(CC[C@H](NC(=O)N2CCCC2)c2cccc(F)c2)CC1.O=C(Cc1ccccn1)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide?
The InChIKey is GBBOURSJZOOEPG-UVRPBFHESA-N. The full InChI is InChI=1S/2C28H36FN3O3.2C28H37N3O3.C27H35FN4O2.C26H34N4O2/c29-23-10-6-9-22(20-23)25(31-27(34)28(35)14-4-5-15-28)13-18-32-16-11-24(12-17-32)30-26(33)19-21-7-2-1-3-8-21;29-24-8-4-7-23(20-24)26(31-28(34)22-12-17-35-18-13-22)11-16-32-14-9-25(10-15-32)30-27(33)19-21-5-2-1-3-6-21;1-34-26(22-11-6-3-7-12-22)28(33)29-24-15-18-31(19-16-24)20-17-25(21-9-4-2-5-10-21)30-27(32)23-13-8-14-23;1-34-25(27(22-11-6-3-7-12-22)30-28(33)23-13-8-14-23)20-31-17-15-24(16-18-31)29-26(32)19-21-9-4-2-5-10-21;28-23-10-6-9-22(20-23)25(30-27(34)32-14-4-5-15-32)13-18-31-16-11-24(12-17-31)29-26(33)19-21-7-2-1-3-8-21;31-25(19-23-11-4-5-15-27-23)28-22-12-16-30(17-13-22)18-14-24(20-7-2-1-3-8-20)29-26(32)21-9-6-10-21/h1-3,6-10,20,24-25,35H,4-5,11-19H2,(H,30,33)(H,31,34);1-8,20,22,25-26H,9-19H2,(H,30,33)(H,31,34);2-7,9-12,23-26H,8,13-20H2,1H3,(H,29,33)(H,30,32);2-7,9-12,23-25,27H,8,13-20H2,1H3,(H,29,32)(H,30,33);1-3,6-10,20,24-25H,4-5,11-19H2,(H,29,33)(H,30,34);1-5,7-8,11,15,21-22,24H,6,9-10,12-14,16-19H2,(H,28,31)(H,29,32)/t25-;26-;25-,26+;25-,27+;25-;24-/m000000/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide?
N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide has a molecular weight of 2791.65 g/mol, XLogP of 21.75, 55 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]-1-hydroxycyclopentane-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]oxane-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]pyrrolidine-1-carboxamide;N-[(1S)-3-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide;N-[(1R,2S)-2-methoxy-1-phenyl-3-[4-[(2-phenylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide;N-[(1S)-1-phenyl-3-[4-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 158202205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).