4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide

C24H28ClN3O3 — CID 38027747

IUPAC4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H28ClN3O3/c1-17(2)18-3-5-20(6-4-18)24(31)28-15-13-27(14-16-28)22(29)11-12-26-23(30)19-7-9-21(25)10-8-19/h3-10,17H,11-16H2,1-2H3,(H,26,30)
InChIKeyWPCNFJBHNANJBK-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.57
Rot. Bonds6

About 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide

4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide (PubChem CID 38027747) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
PubChem CID38027747
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H28ClN3O3/c1-17(2)18-3-5-20(6-4-18)24(31)28-15-13-27(14-16-28)22(29)11-12-26-23(30)19-7-9-21(25)10-8-19/h3-10,17H,11-16H2,1-2H3,(H,26,30)
InChIKeyWPCNFJBHNANJBK-UHFFFAOYSA-N
XLogP3.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
tert-butyl 4-[3-[(4-chlorobenzoyl)amino]propanoyl]piperazine-1-carboxylate
CID 16617166
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
4-chloro-N-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25471182
N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55660916
2-chloro-N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]benzamide
CID 9109853
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 138034031
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide (CID 38027747) is 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide is CC(C)c1ccc(C(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is WPCNFJBHNANJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-17(2)18-3-5-20(6-4-18)24(31)28-15-13-27(14-16-28)22(29)11-12-26-23(30)19-7-9-21(25)10-8-19/h3-10,17H,11-16H2,1-2H3,(H,26,30).
What are the key properties of 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide?
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 441.96 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 38027747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).