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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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).