N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide

C24H28ClN3O3 — CID 39512458

IUPACN-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O3/c1-17-5-2-3-6-21(17)24(31)27-20-12-15-28(16-13-20)22(29)7-4-14-26-23(30)18-8-10-19(25)11-9-18/h2-3,5-6,8-11,20H,4,7,12-16H2,1H3,(H,26,30)(H,27,31)
InChIKeyCZAKPWDBBPLFFN-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.58
Rot. Bonds7

About N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 39512458) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID39512458
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC NameN-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O3/c1-17-5-2-3-6-21(17)24(31)27-20-12-15-28(16-13-20)22(29)7-4-14-26-23(30)18-8-10-19(25)11-9-18/h2-3,5-6,8-11,20H,4,7,12-16H2,1H3,(H,26,30)(H,27,31)
InChIKeyCZAKPWDBBPLFFN-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide 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-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512668
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512383
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide
CID 48734491
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 39510053
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide (CID 39512458) is N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is CZAKPWDBBPLFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-17-5-2-3-6-21(17)24(31)27-20-12-15-28(16-13-20)22(29)7-4-14-26-23(30)18-8-10-19(25)11-9-18/h2-3,5-6,8-11,20H,4,7,12-16H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 441.96 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 39512458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).