(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one

C25H23Cl3N2O — CID 59261610

IUPAC(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C25H23Cl3N2O/c1-17(18-5-3-2-4-6-18)25(31)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h2-12,15,17,24H,13-14,16H2,1H3/t17-,24-/m0/s1
InChIKeyGZTLPJJKABAJQL-XDHUDOTRSA-N
MW473.83 g/mol
LogP6.84
Rot. Bonds4

About (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one

(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 59261610) has the molecular formula C25H23Cl3N2O and a molecular weight of 473.83 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID59261610
Molecular FormulaC25H23Cl3N2O
Molecular Weight473.83 g/mol
Exact Mass472.09
IUPAC Name(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C25H23Cl3N2O/c1-17(18-5-3-2-4-6-18)25(31)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h2-12,15,17,24H,13-14,16H2,1H3/t17-,24-/m0/s1
InChIKeyGZTLPJJKABAJQL-XDHUDOTRSA-N
XLogP6.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one with MolForge

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Related Compounds

Lorcainide
CID 42884
Lorcainide Hydrochloride
CID 6917855
4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 164916972
4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 164916990
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 11213037
1-(3-Chlorophenyl)-4-[(2-phenylcyclopropyl)carbonyl]piperazine
CID 3243442
1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
N-{3-[1-(3-{[bis(4-chlorophenyl)acetyl]amino}propyl)-4-piperidinyl]phenyl}-2-methylpropanamide
CID 10325618
4-(4-(4-chlorobenzyl)piperazin-1-yl)-N-(2,4-dichlorophenyl)butanamide
CID 25169096
1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)piperazin-1-yl)ethanone
CID 46230070
1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)piperazin-1-yl)-3,3-dimethylbutan-1-one
CID 46230071

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one (CID 59261610) is (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one is C[C@H](C(=O)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is GZTLPJJKABAJQL-XDHUDOTRSA-N. The full InChI is InChI=1S/C25H23Cl3N2O/c1-17(18-5-3-2-4-6-18)25(31)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h2-12,15,17,24H,13-14,16H2,1H3/t17-,24-/m0/s1.
What are the key properties of (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one?
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 473.83 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 59261610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).