N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide

C19H28N2O2 — CID 167913357

IUPACN-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(C)(C)NC(=O)C2CCNC(=O)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-18(2,3)14-6-8-15(9-7-14)19(4,5)21-17(23)13-10-11-20-16(22)12-13/h6-9,13H,10-12H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyWRJMICCVSFKZSU-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.86
Rot. Bonds3

About N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide

N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide (PubChem CID 167913357) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide
PubChem CID167913357
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(C)(C)NC(=O)C2CCNC(=O)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-18(2,3)14-6-8-15(9-7-14)19(4,5)21-17(23)13-10-11-20-16(22)12-13/h6-9,13H,10-12H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyWRJMICCVSFKZSU-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
CID 99834444
4-(4-tert-butylphenyl)piperidin-2-one
CID 58901934
(4R)-4-(4-tert-butylphenyl)piperidin-2-one
CID 129394297
N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738889
N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 110445231
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide
CID 113091859
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide (CID 167913357) is N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide is CC(C)(C)c1ccc(C(C)(C)NC(=O)C2CCNC(=O)C2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide?
The InChIKey is WRJMICCVSFKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2,3)14-6-8-15(9-7-14)19(4,5)21-17(23)13-10-11-20-16(22)12-13/h6-9,13H,10-12H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide?
N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 167913357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).