N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C21H30N4O — CID 136513087

IUPACN-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCc1ccc(C(C)(C)CNC(=O)N2CCCC(c3ncc[nH]3)C2)cc1
InChIInChI=1S/C21H30N4O/c1-4-16-7-9-18(10-8-16)21(2,3)15-24-20(26)25-13-5-6-17(14-25)19-22-11-12-23-19/h7-12,17H,4-6,13-15H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyQLLCRTHWYWUPLO-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.84
Rot. Bonds5

About N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 136513087) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID136513087
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCc1ccc(C(C)(C)CNC(=O)N2CCCC(c3ncc[nH]3)C2)cc1
InChIInChI=1S/C21H30N4O/c1-4-16-7-9-18(10-8-16)21(2,3)15-24-20(26)25-13-5-6-17(14-25)19-22-11-12-23-19/h7-12,17H,4-6,13-15H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyQLLCRTHWYWUPLO-UHFFFAOYSA-N
XLogP3.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 70755119
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 136513087) is N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is CCc1ccc(C(C)(C)CNC(=O)N2CCCC(c3ncc[nH]3)C2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is QLLCRTHWYWUPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-16-7-9-18(10-8-16)21(2,3)15-24-20(26)25-13-5-6-17(14-25)19-22-11-12-23-19/h7-12,17H,4-6,13-15H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136513087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).