4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide

C24H28ClN3O4 — CID 55851363

IUPAC4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C24H28ClN3O4/c1-3-16(2)21(26-22(30)17-8-10-18(25)11-9-17)24(32)28-14-12-27(13-15-28)23(31)19-6-4-5-7-20(19)29/h4-11,16,21,29H,3,12-15H2,1-2H3,(H,26,30)
InChIKeyPCKKQBXHXCCTRI-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.17
Rot. Bonds6

About 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide

4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 55851363) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID55851363
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC Name4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C24H28ClN3O4/c1-3-16(2)21(26-22(30)17-8-10-18(25)11-9-17)24(32)28-14-12-27(13-15-28)23(31)19-6-4-5-7-20(19)29/h4-11,16,21,29H,3,12-15H2,1-2H3,(H,26,30)
InChIKeyPCKKQBXHXCCTRI-UHFFFAOYSA-N
XLogP3.17
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 112760065
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide
CID 94330160
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
4-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119542592
4-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119414074
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119409193
N-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55551043
4-chloro-N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 119634860
4-chloro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119487477
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide (CID 55851363) is 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is PCKKQBXHXCCTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-3-16(2)21(26-22(30)17-8-10-18(25)11-9-17)24(32)28-14-12-27(13-15-28)23(31)19-6-4-5-7-20(19)29/h4-11,16,21,29H,3,12-15H2,1-2H3,(H,26,30).
What are the key properties of 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide?
4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 457.96 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55851363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).