2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide

C21H31N3O2 — CID 56914578

IUPAC2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C21H31N3O2/c1-16(2)18-9-3-4-10-19(18)22-21(26)24-14-6-5-8-17(24)12-15-23-13-7-11-20(23)25/h3-4,9-10,16-17H,5-8,11-15H2,1-2H3,(H,22,26)
InChIKeyBYCOCMPYNCRXKS-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.21
Rot. Bonds5

About 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide

2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 56914578) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
PubChem CID56914578
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C21H31N3O2/c1-16(2)18-9-3-4-10-19(18)22-21(26)24-14-6-5-8-17(24)12-15-23-13-7-11-20(23)25/h3-4,9-10,16-17H,5-8,11-15H2,1-2H3,(H,22,26)
InChIKeyBYCOCMPYNCRXKS-UHFFFAOYSA-N
XLogP4.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426
2-(morpholin-4-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56795491
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95714212
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
1-[2-[(2S)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124842042
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 56890665
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 131923446
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide (CID 56914578) is 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide is CC(C)c1ccccc1NC(=O)N1CCCCC1CCN1CCCC1=O.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is BYCOCMPYNCRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(2)18-9-3-4-10-19(18)22-21(26)24-14-6-5-8-17(24)12-15-23-13-7-11-20(23)25/h3-4,9-10,16-17H,5-8,11-15H2,1-2H3,(H,22,26).
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide?
2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 56914578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).