(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone

C16H22ClNOS — CID 42209681

IUPAC(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
SMILESCSCCCN1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNOS/c1-20-11-3-10-18-9-2-4-14(12-18)16(19)13-5-7-15(17)8-6-13/h5-8,14H,2-4,9-12H2,1H3/t14-/m1/s1
InChIKeyWEFFDNPZKFHSGQ-CQSZACIVSA-N
MW311.88 g/mol
LogP3.99
Rot. Bonds6

About (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone

(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone (PubChem CID 42209681) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
PubChem CID42209681
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC Name(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
SMILESCSCCCN1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNOS/c1-20-11-3-10-18-9-2-4-14(12-18)16(19)13-5-7-15(17)8-6-13/h5-8,14H,2-4,9-12H2,1H3/t14-/m1/s1
InChIKeyWEFFDNPZKFHSGQ-CQSZACIVSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methoxyphenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 26407940
(4-methoxy-3,5-dimethylphenyl)-[1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 45219638
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
(4-chlorophenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42361324
1-[2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95468973
(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 45225429
(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45180520
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
N-[4-[2-[3-(4-chlorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998840
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
(4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25274120

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone (CID 42209681) is (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone is CSCCCN1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone?
The InChIKey is WEFFDNPZKFHSGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22ClNOS/c1-20-11-3-10-18-9-2-4-14(12-18)16(19)13-5-7-15(17)8-6-13/h5-8,14H,2-4,9-12H2,1H3/t14-/m1/s1.
What are the key properties of (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone?
(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone has a molecular weight of 311.88 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone is sourced from PubChem (CID 42209681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).