N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide

C18H25ClN2O — CID 72872655

IUPACN-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NC1(c2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN2O/c1-21-13-5-4-6-14(21)9-10-17(22)20-18(11-12-18)15-7-2-3-8-16(15)19/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,20,22)
InChIKeyIXBPRGGZCREELO-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.71
Rot. Bonds5

About N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72872655) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72872655
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC NameN-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NC1(c2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN2O/c1-21-13-5-4-6-14(21)9-10-17(22)20-18(11-12-18)15-7-2-3-8-16(15)19/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,20,22)
InChIKeyIXBPRGGZCREELO-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide 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-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 72872655) is N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide is CN1CCCCC1CCC(=O)NC1(c2ccccc2Cl)CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is IXBPRGGZCREELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-21-13-5-4-6-14(21)9-10-17(22)20-18(11-12-18)15-7-2-3-8-16(15)19/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 320.86 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72872655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).