N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide

C19H26N4O — CID 35416761

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C19H26N4O/c1-16-8-12-22(13-9-16)11-5-10-21-19(24)18-14-20-15-23(18)17-6-3-2-4-7-17/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,21,24)
InChIKeyCYSJVMYLDSAINW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.72
Rot. Bonds6

About N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide (PubChem CID 35416761) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
PubChem CID35416761
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C19H26N4O/c1-16-8-12-22(13-9-16)11-5-10-21-19(24)18-14-20-15-23(18)17-6-3-2-4-7-17/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,21,24)
InChIKeyCYSJVMYLDSAINW-UHFFFAOYSA-N
XLogP2.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 35417792
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307091
3-benzyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 9051599
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261496
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111387720
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 51931352

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide (CID 35416761) is N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide is CC1CCN(CCCNC(=O)c2cncn2-c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is CYSJVMYLDSAINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-16-8-12-22(13-9-16)11-5-10-21-19(24)18-14-20-15-23(18)17-6-3-2-4-7-17/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,21,24).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 35416761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).