(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide

C18H25ClN2O2 — CID 26253365

IUPAC(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O2/c1-13(2)9-10-20-17(22)15-4-3-11-21(12-15)18(23)14-5-7-16(19)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyNARXOANTKBBLEB-OAHLLOKOSA-N
MW336.86 g/mol
LogP3.35
Rot. Bonds5

About (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide

(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 26253365) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID26253365
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O2/c1-13(2)9-10-20-17(22)15-4-3-11-21(12-15)18(23)14-5-7-16(19)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyNARXOANTKBBLEB-OAHLLOKOSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-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

(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
1-(4-chlorobenzoyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 24683038
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119170132
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide (CID 26253365) is (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide is CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is NARXOANTKBBLEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13(2)9-10-20-17(22)15-4-3-11-21(12-15)18(23)14-5-7-16(19)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 26253365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).