2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide

C13H22N4O — CID 154797084

IUPAC2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCC(C)N(C(=O)NCc2cncn2C)C1
InChIInChI=1S/C13H22N4O/c1-10-4-5-11(2)17(8-10)13(18)15-7-12-6-14-9-16(12)3/h6,9-11H,4-5,7-8H2,1-3H3,(H,15,18)
InChIKeyAEQDPUONFZFLRJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.75
Rot. Bonds2

About 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide

2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 154797084) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID154797084
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCC(C)N(C(=O)NCc2cncn2C)C1
InChIInChI=1S/C13H22N4O/c1-10-4-5-11(2)17(8-10)13(18)15-7-12-6-14-9-16(12)3/h6,9-11H,4-5,7-8H2,1-3H3,(H,15,18)
InChIKeyAEQDPUONFZFLRJ-UHFFFAOYSA-N
XLogP1.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-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 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide (CID 154797084) is 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide is CC1CCC(C)N(C(=O)NCc2cncn2C)C1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is AEQDPUONFZFLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-4-5-11(2)17(8-10)13(18)15-7-12-6-14-9-16(12)3/h6,9-11H,4-5,7-8H2,1-3H3,(H,15,18).
What are the key properties of 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide?
2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154797084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).