N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide

C13H22N4O — CID 77086075

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2ncc(C)[nH]2)CC1
InChIInChI=1S/C13H22N4O/c1-3-17-6-4-11(5-7-17)9-15-13(18)12-14-8-10(2)16-12/h8,11H,3-7,9H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyZOFLRCASFRWJCH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.18
Rot. Bonds4

About N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide

N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 77086075) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID77086075
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2ncc(C)[nH]2)CC1
InChIInChI=1S/C13H22N4O/c1-3-17-6-4-11(5-7-17)9-15-13(18)12-14-8-10(2)16-12/h8,11H,3-7,9H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyZOFLRCASFRWJCH-UHFFFAOYSA-N
XLogP1.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide (CID 77086075) is N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide is CCN1CCC(CNC(=O)c2ncc(C)[nH]2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is ZOFLRCASFRWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-6-4-11(5-7-17)9-15-13(18)12-14-8-10(2)16-12/h8,11H,3-7,9H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 77086075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).