N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide

C23H25ClN2O3 — CID 108552034

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H25ClN2O3/c1-16-5-7-17(8-6-16)21(27)9-10-22(28)25-20-11-13-26(14-12-20)23(29)18-3-2-4-19(24)15-18/h2-8,15,20H,9-14H2,1H3,(H,25,28)
InChIKeyHKSFPILMBIPZPW-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.03
Rot. Bonds6

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 108552034) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID108552034
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H25ClN2O3/c1-16-5-7-17(8-6-16)21(27)9-10-22(28)25-20-11-13-26(14-12-20)23(29)18-3-2-4-19(24)15-18/h2-8,15,20H,9-14H2,1H3,(H,25,28)
InChIKeyHKSFPILMBIPZPW-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide 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-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552045
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659
4-(4-methylphenyl)-4-oxo-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]butanamide
CID 108552068
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide (CID 108552034) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is HKSFPILMBIPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-16-5-7-17(8-6-16)21(27)9-10-22(28)25-20-11-13-26(14-12-20)23(29)18-3-2-4-19(24)15-18/h2-8,15,20H,9-14H2,1H3,(H,25,28).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 412.92 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108552034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).