(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

C15H23N3O — CID 8582667

IUPAC(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN([C@@H](C)C(N)=O)CC2)c1C
InChIInChI=1S/C15H23N3O/c1-11-5-4-6-14(12(11)2)18-9-7-17(8-10-18)13(3)15(16)19/h4-6,13H,7-10H2,1-3H3,(H2,16,19)/t13-/m0/s1
InChIKeyDVGJKBHXPMEUQQ-ZDUSSCGKSA-N
MW261.37 g/mol
LogP1.30
Rot. Bonds3

About (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (PubChem CID 8582667) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
PubChem CID8582667
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN([C@@H](C)C(N)=O)CC2)c1C
InChIInChI=1S/C15H23N3O/c1-11-5-4-6-14(12(11)2)18-9-7-17(8-10-18)13(3)15(16)19/h4-6,13H,7-10H2,1-3H3,(H2,16,19)/t13-/m0/s1
InChIKeyDVGJKBHXPMEUQQ-ZDUSSCGKSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465
(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460053
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 8582695
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
CID 8591101
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 92987715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (CID 8582667) is (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN([C@@H](C)C(N)=O)CC2)c1C.
What is the InChIKey of (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The InChIKey is DVGJKBHXPMEUQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-4-6-14(12(11)2)18-9-7-17(8-10-18)13(3)15(16)19/h4-6,13H,7-10H2,1-3H3,(H2,16,19)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8582667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).