1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one

C19H28ClN3OS — CID 26337291

IUPAC1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C19H28ClN3OS/c1-25-13-7-19(24)23-8-3-6-18(15-23)22-11-9-21(10-12-22)17-5-2-4-16(20)14-17/h2,4-5,14,18H,3,6-13,15H2,1H3/t18-/m0/s1
InChIKeyQGHWJTDYJRPQQP-SFHVURJKSA-N
MW381.97 g/mol
LogP3.21
Rot. Bonds5

About 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one

1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one (PubChem CID 26337291) has the molecular formula C19H28ClN3OS and a molecular weight of 381.97 g/mol. Its IUPAC name is 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
PubChem CID26337291
Molecular FormulaC19H28ClN3OS
Molecular Weight381.97 g/mol
Exact Mass381.16
IUPAC Name1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C19H28ClN3OS/c1-25-13-7-19(24)23-8-3-6-18(15-23)22-11-9-21(10-12-22)17-5-2-4-16(20)14-17/h2,4-5,14,18H,3,6-13,15H2,1H3/t18-/m0/s1
InChIKeyQGHWJTDYJRPQQP-SFHVURJKSA-N
XLogP3.21
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one with MolForge

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Related Compounds

1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 42199365
2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 45219211
(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 95719083
[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
CID 45228263
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 25289401
(3-chloro-4-fluorophenyl)-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45231780
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 25288378
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one (CID 26337291) is 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one is CSCCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The InChIKey is QGHWJTDYJRPQQP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28ClN3OS/c1-25-13-7-19(24)23-8-3-6-18(15-23)22-11-9-21(10-12-22)17-5-2-4-16(20)14-17/h2,4-5,14,18H,3,6-13,15H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one?
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one has a molecular weight of 381.97 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 26337291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).