N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide

C19H25N3O — CID 71980198

IUPACN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)NCC1CCN(CC#N)CC1
InChIInChI=1S/C19H25N3O/c1-14-4-2-3-5-16(14)17-12-18(17)19(23)21-13-15-6-9-22(10-7-15)11-8-20/h2-5,15,17-18H,6-7,9-13H2,1H3,(H,21,23)
InChIKeyQXWFDBXOODDBPD-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.45
Rot. Bonds5

About N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide

N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 71980198) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID71980198
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)NCC1CCN(CC#N)CC1
InChIInChI=1S/C19H25N3O/c1-14-4-2-3-5-16(14)17-12-18(17)19(23)21-13-15-6-9-22(10-7-15)11-8-20/h2-5,15,17-18H,6-7,9-13H2,1H3,(H,21,23)
InChIKeyQXWFDBXOODDBPD-UHFFFAOYSA-N
XLogP2.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-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 N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (CID 71980198) is N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccccc1C1CC1C(=O)NCC1CCN(CC#N)CC1.
What is the InChIKey of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is QXWFDBXOODDBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-4-2-3-5-16(14)17-12-18(17)19(23)21-13-15-6-9-22(10-7-15)11-8-20/h2-5,15,17-18H,6-7,9-13H2,1H3,(H,21,23).
What are the key properties of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71980198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).