N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide

C15H18Cl2N2O2 — CID 79537750

IUPACN-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
SMILESCC(=O)CC1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c1-10(20)8-12-4-2-3-7-19(12)15(21)18-11-5-6-13(16)14(17)9-11/h5-6,9,12H,2-4,7-8H2,1H3,(H,18,21)
InChIKeyLENPJUUTLRZOPC-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.36
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide

N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide (PubChem CID 79537750) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
PubChem CID79537750
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
SMILESCC(=O)CC1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c1-10(20)8-12-4-2-3-7-19(12)15(21)18-11-5-6-13(16)14(17)9-11/h5-6,9,12H,2-4,7-8H2,1H3,(H,18,21)
InChIKeyLENPJUUTLRZOPC-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dichlorophenyl)-2-(2-oxopropyl)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

Related Compounds

N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 102785989
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104560

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide (CID 79537750) is N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide is CC(=O)CC1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide?
The InChIKey is LENPJUUTLRZOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-10(20)8-12-4-2-3-7-19(12)15(21)18-11-5-6-13(16)14(17)9-11/h5-6,9,12H,2-4,7-8H2,1H3,(H,18,21).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 79537750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).