(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide

C20H25N3O — CID 8725198

IUPAC(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-16-8-6-7-11-19(16)23-14-12-22(13-15-23)17(2)20(24)21-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyGWNVNXMJIFLIIZ-KRWDZBQOSA-N
MW323.44 g/mol
LogP3.14
Rot. Bonds4

About (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide

(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 8725198) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID8725198
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-16-8-6-7-11-19(16)23-14-12-22(13-15-23)17(2)20(24)21-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyGWNVNXMJIFLIIZ-KRWDZBQOSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92987492
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide (CID 8725198) is (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide is Cc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1.
What is the InChIKey of (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is GWNVNXMJIFLIIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-8-6-7-11-19(16)23-14-12-22(13-15-23)17(2)20(24)21-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide?
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 323.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 8725198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).