N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide

C18H22N4O3 — CID 16746600

IUPACN-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-7-9-22(10-8-12)18(24)16-15(19-11-20-16)17(23)21-13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyOTLVJPJFVIHYBU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.54
Rot. Bonds4

About N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide

N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 16746600) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID16746600
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-7-9-22(10-8-12)18(24)16-15(19-11-20-16)17(23)21-13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyOTLVJPJFVIHYBU-UHFFFAOYSA-N
XLogP2.54
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 16746600) is N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide is COc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is OTLVJPJFVIHYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-7-9-22(10-8-12)18(24)16-15(19-11-20-16)17(23)21-13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 16746600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).