N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide

C37H54N4O8 — CID 123545257

IUPACN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide
SMILESCCCc1ccc(C2CCN(C(=O)N[C@H](C(=O)CO)[C@@H](C)O)CC2)cc1.C[C@@H](O)[C@H](NC(=O)N1CCC(c2ccccc2)CC1)C(=O)CO
InChIInChI=1S/C20H30N2O4.C17H24N2O4/c1-3-4-15-5-7-16(8-6-15)17-9-11-22(12-10-17)20(26)21-19(14(2)24)18(25)13-23;1-12(21)16(15(22)11-20)18-17(23)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h5-8,14,17,19,23-24H,3-4,9-13H2,1-2H3,(H,21,26);2-6,12,14,16,20-21H,7-11H2,1H3,(H,18,23)/t14-,19+;12-,16+/m11/s1
InChIKeyMDPGSIFOPWDIPG-NVIFAENVSA-N
MW682.86 g/mol
LogP2.73
Rot. Bonds12

About N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide

N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide (PubChem CID 123545257) has the molecular formula C37H54N4O8 and a molecular weight of 682.86 g/mol. Its IUPAC name is N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide
PubChem CID123545257
Molecular FormulaC37H54N4O8
Molecular Weight682.86 g/mol
Exact Mass682.39
IUPAC NameN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide
SMILESCCCc1ccc(C2CCN(C(=O)N[C@H](C(=O)CO)[C@@H](C)O)CC2)cc1.C[C@@H](O)[C@H](NC(=O)N1CCC(c2ccccc2)CC1)C(=O)CO
InChIInChI=1S/C20H30N2O4.C17H24N2O4/c1-3-4-15-5-7-16(8-6-15)17-9-11-22(12-10-17)20(26)21-19(14(2)24)18(25)13-23;1-12(21)16(15(22)11-20)18-17(23)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h5-8,14,17,19,23-24H,3-4,9-13H2,1-2H3,(H,21,26);2-6,12,14,16,20-21H,7-11H2,1H3,(H,18,23)/t14-,19+;12-,16+/m11/s1
InChIKeyMDPGSIFOPWDIPG-NVIFAENVSA-N
XLogP2.73
TPSA179.74 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.86
LogP ≤ 52.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 58412828
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 44633511
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
N-[(3S,4S)-1,4-dihydroxy-2-oxopentan-3-yl]-4-[4-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 58412906
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(5-phenylpentyl)benzamide
CID 58342840
1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000188
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide
CID 88903716
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
(E)-4-[4-(4-propylphenyl)cyclohexyl]pent-2-enoic acid
CID 67642998
1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-phenylethyl)urea
CID 67299403
4-(4-butylphenyl)-N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58343538

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide (CID 123545257) is N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide is CCCc1ccc(C2CCN(C(=O)N[C@H](C(=O)CO)[C@@H](C)O)CC2)cc1.C[C@@H](O)[C@H](NC(=O)N1CCC(c2ccccc2)CC1)C(=O)CO.
What is the InChIKey of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide?
The InChIKey is MDPGSIFOPWDIPG-NVIFAENVSA-N. The full InChI is InChI=1S/C20H30N2O4.C17H24N2O4/c1-3-4-15-5-7-16(8-6-15)17-9-11-22(12-10-17)20(26)21-19(14(2)24)18(25)13-23;1-12(21)16(15(22)11-20)18-17(23)19-9-7-14(8-10-19)13-5-3-2-4-6-13/h5-8,14,17,19,23-24H,3-4,9-13H2,1-2H3,(H,21,26);2-6,12,14,16,20-21H,7-11H2,1H3,(H,18,23)/t14-,19+;12-,16+/m11/s1.
What are the key properties of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide?
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide has a molecular weight of 682.86 g/mol, XLogP of 2.73, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 123545257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).