(2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide

C20H30N2O4 — CID 97262168

IUPAC(2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CC(=O)N[C@@H](CC(C)C)C2)c1
InChIInChI=1S/C20H30N2O4/c1-12(2)8-15-9-14(10-19(23)22-15)20(24)21-13(3)17-11-16(25-4)6-7-18(17)26-5/h6-7,11-15H,8-10H2,1-5H3,(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1
InChIKeyNHOPDCMPMRNHCH-ZNMIVQPWSA-N
MW362.47 g/mol
LogP2.82
Rot. Bonds7

About (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide

(2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide (PubChem CID 97262168) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide
PubChem CID97262168
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CC(=O)N[C@@H](CC(C)C)C2)c1
InChIInChI=1S/C20H30N2O4/c1-12(2)8-15-9-14(10-19(23)22-15)20(24)21-13(3)17-11-16(25-4)6-7-18(17)26-5/h6-7,11-15H,8-10H2,1-5H3,(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1
InChIKeyNHOPDCMPMRNHCH-ZNMIVQPWSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide with MolForge

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119691798
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119691799
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907
ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 43057044
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51221677
1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 133161823
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119272421
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25495590
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide?
The IUPAC name of (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide (CID 97262168) is (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide?
The canonical SMILES for (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide is COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CC(=O)N[C@@H](CC(C)C)C2)c1.
What is the InChIKey of (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide?
The InChIKey is NHOPDCMPMRNHCH-ZNMIVQPWSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-12(2)8-15-9-14(10-19(23)22-15)20(24)21-13(3)17-11-16(25-4)6-7-18(17)26-5/h6-7,11-15H,8-10H2,1-5H3,(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1.
What are the key properties of (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide?
(2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-6-oxopiperidine-4-carboxamide is sourced from PubChem (CID 97262168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).