1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide

C20H25ClN4O2 — CID 53181622

IUPAC1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCc3ccc(Cl)cc3)c2C)CC1
InChIInChI=1S/C20H25ClN4O2/c1-13-19(20(27)22-12-16-4-6-17(21)7-5-16)23-14(2)25(13)18-8-10-24(11-9-18)15(3)26/h4-7,18H,8-12H2,1-3H3,(H,22,27)
InChIKeyKNNDIFNWLUYTCB-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.27
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide

1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide (PubChem CID 53181622) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
PubChem CID53181622
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCc3ccc(Cl)cc3)c2C)CC1
InChIInChI=1S/C20H25ClN4O2/c1-13-19(20(27)22-12-16-4-6-17(21)7-5-16)23-14(2)25(13)18-8-10-24(11-9-18)15(3)26/h4-7,18H,8-12H2,1-3H3,(H,22,27)
InChIKeyKNNDIFNWLUYTCB-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181525
N-[(4-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648131
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
CID 56909428
ethyl 1-[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]piperidine-4-carboxylate
CID 44995824
4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
CID 170347486
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113004292
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
methyl 1-[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111255122
1-[4-[[(2S,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]amino]piperidin-1-yl]ethanone
CID 99108546
N-[(4-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53014872

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide (CID 53181622) is 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide is CC(=O)N1CCC(n2c(C)nc(C(=O)NCc3ccc(Cl)cc3)c2C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is KNNDIFNWLUYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-13-19(20(27)22-12-16-4-6-17(21)7-5-16)23-14(2)25(13)18-8-10-24(11-9-18)15(3)26/h4-7,18H,8-12H2,1-3H3,(H,22,27).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 53181622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).