2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide

C21H24ClN3O2 — CID 18094234

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-15-18(22)9-6-10-19(15)23-20(26)16(2)24-11-13-25(14-12-24)21(27)17-7-4-3-5-8-17/h3-10,16H,11-14H2,1-2H3,(H,23,26)
InChIKeyHEZVQCGFHBPGHS-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.43
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide

2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 18094234) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID18094234
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-15-18(22)9-6-10-19(15)23-20(26)16(2)24-11-13-25(14-12-24)21(27)17-7-4-3-5-8-17/h3-10,16H,11-14H2,1-2H3,(H,23,26)
InChIKeyHEZVQCGFHBPGHS-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563154
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 55682346
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25494160
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide (CID 18094234) is 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide is Cc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is HEZVQCGFHBPGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15-18(22)9-6-10-19(15)23-20(26)16(2)24-11-13-25(14-12-24)21(27)17-7-4-3-5-8-17/h3-10,16H,11-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide?
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 385.90 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 18094234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).