(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide

C22H26ClN3O2 — CID 9258738

IUPAC(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-16(22(28)24-21-8-4-6-19(14-21)17(2)27)26-11-9-25(10-12-26)15-18-5-3-7-20(23)13-18/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,24,28)/t16-/m0/s1
InChIKeyOFPPUIWNHZAPGO-INIZCTEOSA-N
MW399.92 g/mol
LogP3.69
Rot. Bonds6

About (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide

(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 9258738) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
PubChem CID9258738
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-16(22(28)24-21-8-4-6-19(14-21)17(2)27)26-11-9-25(10-12-26)15-18-5-3-7-20(23)13-18/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,24,28)/t16-/m0/s1
InChIKeyOFPPUIWNHZAPGO-INIZCTEOSA-N
XLogP3.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide 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

(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9130125
N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258558
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2R)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9258412
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258269
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
CID 9389720
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-methylphenyl)propanamide
CID 55506004
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566269

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide (CID 9258738) is (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide is CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is OFPPUIWNHZAPGO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16(22(28)24-21-8-4-6-19(14-21)17(2)27)26-11-9-25(10-12-26)15-18-5-3-7-20(23)13-18/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,24,28)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide?
(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 399.92 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9258738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).