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

C20H24ClN3O — CID 92987466

IUPAC(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c1-15-6-8-19(9-7-15)24-12-10-23(11-13-24)16(2)20(25)22-18-5-3-4-17(21)14-18/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyFBNCWDFRWKDWPD-INIZCTEOSA-N
MW357.89 g/mol
LogP3.80
Rot. Bonds4

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

(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 92987466) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
PubChem CID92987466
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c1-15-6-8-19(9-7-15)24-12-10-23(11-13-24)16(2)20(25)22-18-5-3-4-17(21)14-18/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyFBNCWDFRWKDWPD-INIZCTEOSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 2570336
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566269
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide (CID 92987466) is (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide is Cc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is FBNCWDFRWKDWPD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-6-8-19(9-7-15)24-12-10-23(11-13-24)16(2)20(25)22-18-5-3-4-17(21)14-18/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 357.89 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 92987466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).