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

C21H26ClN3O — CID 27159268

IUPAC(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1C
InChIInChI=1S/C21H26ClN3O/c1-15-6-4-9-20(16(15)2)25-12-10-24(11-13-25)17(3)21(26)23-19-8-5-7-18(22)14-19/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyCURWMKHUASCQIY-KRWDZBQOSA-N
MW371.91 g/mol
LogP4.11
Rot. Bonds4

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

(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (PubChem CID 27159268) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
PubChem CID27159268
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1C
InChIInChI=1S/C21H26ClN3O/c1-15-6-4-9-20(16(15)2)25-12-10-24(11-13-25)17(3)21(26)23-19-8-5-7-18(22)14-19/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyCURWMKHUASCQIY-KRWDZBQOSA-N
XLogP4.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460053
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 45351379
(2S)-N-(2,4-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460044
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566269
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (CID 27159268) is (2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1C.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The InChIKey is CURWMKHUASCQIY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-15-6-4-9-20(16(15)2)25-12-10-24(11-13-25)17(3)21(26)23-19-8-5-7-18(22)14-19/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide has a molecular weight of 371.91 g/mol, XLogP of 4.11, 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-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 27159268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).