N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide

C22H23ClN4O — CID 121354922

IUPACN-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(Cc2cccc(-n3ccnc3)c2)C1
InChIInChI=1S/C22H23ClN4O/c23-19-6-8-20(9-7-19)25-22(28)18-4-2-11-26(15-18)14-17-3-1-5-21(13-17)27-12-10-24-16-27/h1,3,5-10,12-13,16,18H,2,4,11,14-15H2,(H,25,28)
InChIKeyUGAVIISVIYYDFS-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.38
Rot. Bonds5

About N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide

N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 121354922) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID121354922
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(Cc2cccc(-n3ccnc3)c2)C1
InChIInChI=1S/C22H23ClN4O/c23-19-6-8-20(9-7-19)25-22(28)18-4-2-11-26(15-18)14-17-3-1-5-21(13-17)27-12-10-24-16-27/h1,3,5-10,12-13,16,18H,2,4,11,14-15H2,(H,25,28)
InChIKeyUGAVIISVIYYDFS-UHFFFAOYSA-N
XLogP4.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43921795
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 121354922) is N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN(Cc2cccc(-n3ccnc3)c2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UGAVIISVIYYDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-19-6-8-20(9-7-19)25-22(28)18-4-2-11-26(15-18)14-17-3-1-5-21(13-17)27-12-10-24-16-27/h1,3,5-10,12-13,16,18H,2,4,11,14-15H2,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[(3-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 121354922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).