[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone

C21H24N2O — CID 121478931

IUPAC[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)nc1)C1CCCN(CC2CC2)C1
InChIInChI=1S/C21H24N2O/c24-21(19-7-4-12-23(15-19)14-16-8-9-16)18-10-11-20(22-13-18)17-5-2-1-3-6-17/h1-3,5-6,10-11,13,16,19H,4,7-9,12,14-15H2
InChIKeyZPXBVOHQRVDIFP-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.05
Rot. Bonds5

About [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone

[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone (PubChem CID 121478931) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone
PubChem CID121478931
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)nc1)C1CCCN(CC2CC2)C1
InChIInChI=1S/C21H24N2O/c24-21(19-7-4-12-23(15-19)14-16-8-9-16)18-10-11-20(22-13-18)17-5-2-1-3-6-17/h1-3,5-6,10-11,13,16,19H,4,7-9,12,14-15H2
InChIKeyZPXBVOHQRVDIFP-UHFFFAOYSA-N
XLogP4.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)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 [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone (CID 121478931) is [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone is O=C(c1ccc(-c2ccccc2)nc1)C1CCCN(CC2CC2)C1.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone?
The InChIKey is ZPXBVOHQRVDIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(19-7-4-12-23(15-19)14-16-8-9-16)18-10-11-20(22-13-18)17-5-2-1-3-6-17/h1-3,5-6,10-11,13,16,19H,4,7-9,12,14-15H2.
What are the key properties of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone?
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone has a molecular weight of 320.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 121478931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).