(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one

C19H21ClN2OS — CID 39073793

IUPAC(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2OS/c1-15(24-18-8-3-2-4-9-18)19(23)22-12-10-21(11-13-22)17-7-5-6-16(20)14-17/h2-9,14-15H,10-13H2,1H3/t15-/m1/s1
InChIKeyPMFJEYBUOMGXNL-OAHLLOKOSA-N
MW360.91 g/mol
LogP4.17
Rot. Bonds4

About (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one

(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one (PubChem CID 39073793) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
PubChem CID39073793
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2OS/c1-15(24-18-8-3-2-4-9-18)19(23)22-12-10-21(11-13-22)17-7-5-6-16(20)14-17/h2-9,14-15H,10-13H2,1H3/t15-/m1/s1
InChIKeyPMFJEYBUOMGXNL-OAHLLOKOSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)sulfanylpropan-1-one
CID 10644381
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 10668383
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
(2R)-1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylpropan-1-one
CID 39073895
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 7759872
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 46550455
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 78882190
(2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 987992

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The IUPAC name of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one (CID 39073793) is (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The canonical SMILES for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one is C[C@@H](Sc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one?
The InChIKey is PMFJEYBUOMGXNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c1-15(24-18-8-3-2-4-9-18)19(23)22-12-10-21(11-13-22)17-7-5-6-16(20)14-17/h2-9,14-15H,10-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one?
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one has a molecular weight of 360.91 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one is sourced from PubChem (CID 39073793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).