N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide

C14H22N4O2 — CID 46264348

IUPACN-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCC(C)CNC(=O)c1nc[nH]c1C(=O)N1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-10(2)8-15-13(19)11-12(17-9-16-11)14(20)18-6-4-3-5-7-18/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyHSPCGHROTKACAF-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.42
Rot. Bonds4

About N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide

N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 46264348) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID46264348
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESCC(C)CNC(=O)c1nc[nH]c1C(=O)N1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-10(2)8-15-13(19)11-12(17-9-16-11)14(20)18-6-4-3-5-7-18/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyHSPCGHROTKACAF-UHFFFAOYSA-N
XLogP1.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 46264348) is N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide is CC(C)CNC(=O)c1nc[nH]c1C(=O)N1CCCCC1.
What is the InChIKey of N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is HSPCGHROTKACAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)8-15-13(19)11-12(17-9-16-11)14(20)18-6-4-3-5-7-18/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(piperidine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 46264348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).