[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C15H21N5O — CID 110258822

IUPAC[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1nccn1CC1CCCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H21N5O/c1-12-16-5-7-19(12)9-13-4-3-6-20(10-13)15(21)14-8-17-18(2)11-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3
InChIKeyQQGONMHHJCQLTA-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.48
Rot. Bonds3

About [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110258822) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110258822
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1nccn1CC1CCCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H21N5O/c1-12-16-5-7-19(12)9-13-4-3-6-20(10-13)15(21)14-8-17-18(2)11-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3
InChIKeyQQGONMHHJCQLTA-UHFFFAOYSA-N
XLogP1.48
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone 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 [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110258822) is [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1nccn1CC1CCCN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is QQGONMHHJCQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-16-5-7-19(12)9-13-4-3-6-20(10-13)15(21)14-8-17-18(2)11-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3.
What are the key properties of [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110258822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).