(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide

C17H24N2O3 — CID 94169792

IUPAC(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1OC
InChIInChI=1S/C17H24N2O3/c1-4-14(13-7-5-6-8-15(13)22-3)18-17(21)12-9-10-19(2)16(20)11-12/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,21)/t12-,14+/m0/s1
InChIKeyBMTYUVLLFRIALY-GXTWGEPZSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds5

About (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide

(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 94169792) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID94169792
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1OC
InChIInChI=1S/C17H24N2O3/c1-4-14(13-7-5-6-8-15(13)22-3)18-17(21)12-9-10-19(2)16(20)11-12/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,21)/t12-,14+/m0/s1
InChIKeyBMTYUVLLFRIALY-GXTWGEPZSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
4-[(1-methyl-2-oxopiperidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201075
(3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 51727877
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55656137
(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95616808
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 51956311
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
N-[1-(2-methoxyphenyl)propyl]-4-methylpyrrolidine-3-carboxamide
CID 63715943
(3R)-3-(4-tert-butylphenyl)-3-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 99645041
N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide
CID 107434346
(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311981

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 94169792) is (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide is CC[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1OC.
What is the InChIKey of (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is BMTYUVLLFRIALY-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-14(13-7-5-6-8-15(13)22-3)18-17(21)12-9-10-19(2)16(20)11-12/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,21)/t12-,14+/m0/s1.
What are the key properties of (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide?
(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 94169792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).