1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide

C87H105N15O10S — CID 173099911

IUPAC1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)Nc2ccncc2)CC1.O=C(Nc1ccccn1)C1CCNCC1.O=C(Nc1ccncc1)C1CCN(C(=O)OCc2ccccc2)CC1.O=C(Nc1ccncc1)C1CCN(C(=O)c2ccccc2)CC1.O=C(Nc1ccncc1)C1CCN(CC(O)COc2ccccc2Cc2cccs2)CC1
InChIInChI=1S/C25H29N3O3S.C19H21N3O3.C18H19N3O2.C14H21N3O.C11H15N3O/c29-22(18-31-24-6-2-1-4-20(24)16-23-5-3-15-32-23)17-28-13-9-19(10-14-28)25(30)27-21-7-11-26-12-8-21;23-18(21-17-6-10-20-11-7-17)16-8-12-22(13-9-16)19(24)25-14-15-4-2-1-3-5-15;22-17(20-16-6-10-19-11-7-16)14-8-12-21(13-9-14)18(23)15-4-2-1-3-5-15;1-2-9-17-10-5-12(6-11-17)14(18)16-13-3-7-15-8-4-13;15-11(9-4-7-12-8-5-9)14-10-3-1-2-6-13-10/h1-8,11-12,15,19,22,29H,9-10,13-14,16-18H2,(H,26,27,30);1-7,10-11,16H,8-9,12-14H2,(H,20,21,23);1-7,10-11,14H,8-9,12-13H2,(H,19,20,22);3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,15,16,18);1-3,6,9,12H,4-5,7-8H2,(H,13,14,15)
InChIKeyYOTQWENGAYAKBY-UHFFFAOYSA-N
MW1552.96 g/mol
LogP12.63
Rot. Bonds22

About 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide

1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 173099911) has the molecular formula C87H105N15O10S and a molecular weight of 1552.96 g/mol. Its IUPAC name is 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID173099911
Molecular FormulaC87H105N15O10S
Molecular Weight1552.96 g/mol
Exact Mass1551.79
IUPAC Name1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)Nc2ccncc2)CC1.O=C(Nc1ccccn1)C1CCNCC1.O=C(Nc1ccncc1)C1CCN(C(=O)OCc2ccccc2)CC1.O=C(Nc1ccncc1)C1CCN(C(=O)c2ccccc2)CC1.O=C(Nc1ccncc1)C1CCN(CC(O)COc2ccccc2Cc2cccs2)CC1
InChIInChI=1S/C25H29N3O3S.C19H21N3O3.C18H19N3O2.C14H21N3O.C11H15N3O/c29-22(18-31-24-6-2-1-4-20(24)16-23-5-3-15-32-23)17-28-13-9-19(10-14-28)25(30)27-21-7-11-26-12-8-21;23-18(21-17-6-10-20-11-7-17)16-8-12-22(13-9-16)19(24)25-14-15-4-2-1-3-5-15;22-17(20-16-6-10-19-11-7-16)14-8-12-21(13-9-14)18(23)15-4-2-1-3-5-15;1-2-9-17-10-5-12(6-11-17)14(18)16-13-3-7-15-8-4-13;15-11(9-4-7-12-8-5-9)14-10-3-1-2-6-13-10/h1-8,11-12,15,19,22,29H,9-10,13-14,16-18H2,(H,26,27,30);1-7,10-11,16H,8-9,12-14H2,(H,20,21,23);1-7,10-11,14H,8-9,12-13H2,(H,19,20,22);3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,15,16,18);1-3,6,9,12H,4-5,7-8H2,(H,13,14,15)
InChIKeyYOTQWENGAYAKBY-UHFFFAOYSA-N
XLogP12.63
TPSA307.77 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001552.96
LogP ≤ 512.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide (CID 173099911) is 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide is CCCN1CCC(C(=O)Nc2ccncc2)CC1.O=C(Nc1ccccn1)C1CCNCC1.O=C(Nc1ccncc1)C1CCN(C(=O)OCc2ccccc2)CC1.O=C(Nc1ccncc1)C1CCN(C(=O)c2ccccc2)CC1.O=C(Nc1ccncc1)C1CCN(CC(O)COc2ccccc2Cc2cccs2)CC1.
What is the InChIKey of 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is YOTQWENGAYAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S.C19H21N3O3.C18H19N3O2.C14H21N3O.C11H15N3O/c29-22(18-31-24-6-2-1-4-20(24)16-23-5-3-15-32-23)17-28-13-9-19(10-14-28)25(30)27-21-7-11-26-12-8-21;23-18(21-17-6-10-20-11-7-17)16-8-12-22(13-9-16)19(24)25-14-15-4-2-1-3-5-15;22-17(20-16-6-10-19-11-7-16)14-8-12-21(13-9-14)18(23)15-4-2-1-3-5-15;1-2-9-17-10-5-12(6-11-17)14(18)16-13-3-7-15-8-4-13;15-11(9-4-7-12-8-5-9)14-10-3-1-2-6-13-10/h1-8,11-12,15,19,22,29H,9-10,13-14,16-18H2,(H,26,27,30);1-7,10-11,16H,8-9,12-14H2,(H,20,21,23);1-7,10-11,14H,8-9,12-13H2,(H,19,20,22);3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,15,16,18);1-3,6,9,12H,4-5,7-8H2,(H,13,14,15).
What are the key properties of 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide?
1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 1552.96 g/mol, XLogP of 12.63, 22 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-pyridin-4-ylpiperidine-4-carboxamide;benzyl 4-(pyridin-4-ylcarbamoyl)piperidine-1-carboxylate;1-[2-hydroxy-3-[2-(thiophen-2-ylmethyl)phenoxy]propyl]-N-pyridin-4-ylpiperidine-4-carboxamide;1-propyl-N-pyridin-4-ylpiperidine-4-carboxamide;N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 173099911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).