N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide

C18H23ClN4O — CID 90494071

IUPACN-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCCc1nccn1CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN4O/c1-2-17-20-9-12-23(17)13-14-7-10-22(11-8-14)18(24)21-16-5-3-15(19)4-6-16/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3,(H,21,24)
InChIKeyYNLCAQAQGNINNG-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.04
Rot. Bonds4

About N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide

N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 90494071) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID90494071
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCCc1nccn1CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN4O/c1-2-17-20-9-12-23(17)13-14-7-10-22(11-8-14)18(24)21-16-5-3-15(19)4-6-16/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3,(H,21,24)
InChIKeyYNLCAQAQGNINNG-UHFFFAOYSA-N
XLogP4.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
N-(4-chlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561847
2-(4-chlorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492788
N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494087
N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781139
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 90493958
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494024
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
4-[[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 95128874
N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493968
N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
2-(2-chloro-6-fluorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493335

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide (CID 90494071) is N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide is CCc1nccn1CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is YNLCAQAQGNINNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-2-17-20-9-12-23(17)13-14-7-10-22(11-8-14)18(24)21-16-5-3-15(19)4-6-16/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90494071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).