(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide

C14H20ClN3O — CID 8591101

IUPAC(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1N1CCN([C@@H](C)C(N)=O)CC1
InChIInChI=1S/C14H20ClN3O/c1-10-3-4-12(15)9-13(10)18-7-5-17(6-8-18)11(2)14(16)19/h3-4,9,11H,5-8H2,1-2H3,(H2,16,19)/t11-/m0/s1
InChIKeyASVAMQGEAAUDAN-NSHDSACASA-N
MW281.79 g/mol
LogP1.64
Rot. Bonds3

About (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide

(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 8591101) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
PubChem CID8591101
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1N1CCN([C@@H](C)C(N)=O)CC1
InChIInChI=1S/C14H20ClN3O/c1-10-3-4-12(15)9-13(10)18-7-5-17(6-8-18)11(2)14(16)19/h3-4,9,11H,5-8H2,1-2H3,(H2,16,19)/t11-/m0/s1
InChIKeyASVAMQGEAAUDAN-NSHDSACASA-N
XLogP1.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17394355
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582667
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 45351379
3-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119829106
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952
4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111264276
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
4-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzoic acid
CID 63082675
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(5-chloro-2-methylphenyl)piperazine
CID 1443737

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide (CID 8591101) is (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide is Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(N)=O)CC1.
What is the InChIKey of (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is ASVAMQGEAAUDAN-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-3-4-12(15)9-13(10)18-7-5-17(6-8-18)11(2)14(16)19/h3-4,9,11H,5-8H2,1-2H3,(H2,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide?
(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 281.79 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8591101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).