N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide

C16H20N4O — CID 63130122

IUPACN-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(-n3ccnc3)c2)CCCNC1
InChIInChI=1S/C16H20N4O/c1-16(6-3-7-17-11-16)15(21)19-13-4-2-5-14(10-13)20-9-8-18-12-20/h2,4-5,8-10,12,17H,3,6-7,11H2,1H3,(H,19,21)
InChIKeyUKHLXHWSPXCIQF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds3

About N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide

N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 63130122) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
PubChem CID63130122
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(-n3ccnc3)c2)CCCNC1
InChIInChI=1S/C16H20N4O/c1-16(6-3-7-17-11-16)15(21)19-13-4-2-5-14(10-13)20-9-8-18-12-20/h2,4-5,8-10,12,17H,3,6-7,11H2,1H3,(H,19,21)
InChIKeyUKHLXHWSPXCIQF-UHFFFAOYSA-N
XLogP2.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
CID 63129946
3-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119943848
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
N-[3-(dimethylsulfamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 119943618
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
CID 63130247
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
3-methyl-N-[3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 63130562
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide (CID 63130122) is N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)Nc2cccc(-n3ccnc3)c2)CCCNC1.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is UKHLXHWSPXCIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(6-3-7-17-11-16)15(21)19-13-4-2-5-14(10-13)20-9-8-18-12-20/h2,4-5,8-10,12,17H,3,6-7,11H2,1H3,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide?
N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).