N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide

C17H21ClN4O — CID 166192757

IUPACN-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(n2ccnc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O/c1-13(14-4-6-15(18)7-5-14)20-17(23)21-9-2-3-16(11-21)22-10-8-19-12-22/h4-8,10,12-13,16H,2-3,9,11H2,1H3,(H,20,23)
InChIKeyXHYCWXZJEDRGMN-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.64
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide

N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide (PubChem CID 166192757) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide
PubChem CID166192757
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(n2ccnc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O/c1-13(14-4-6-15(18)7-5-14)20-17(23)21-9-2-3-16(11-21)22-10-8-19-12-22/h4-8,10,12-13,16H,2-3,9,11H2,1H3,(H,20,23)
InChIKeyXHYCWXZJEDRGMN-UHFFFAOYSA-N
XLogP3.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95313053
N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 95345962
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95341656
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95341948
(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone
CID 95315157
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 95314197
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95569054
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341550
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 95340385

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide (CID 166192757) is N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide is CC(NC(=O)N1CCCC(n2ccnc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide?
The InChIKey is XHYCWXZJEDRGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-13(14-4-6-15(18)7-5-14)20-17(23)21-9-2-3-16(11-21)22-10-8-19-12-22/h4-8,10,12-13,16H,2-3,9,11H2,1H3,(H,20,23).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 166192757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).