(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone

C20H23NOS — CID 78791820

IUPAC(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NOS/c1-23-19-9-7-18(8-10-19)20(22)21-13-11-17(12-14-21)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3
InChIKeyBXPDSOHVPJHPKB-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.50
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone

(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone (PubChem CID 78791820) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
PubChem CID78791820
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NOS/c1-23-19-9-7-18(8-10-19)20(22)21-13-11-17(12-14-21)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3
InChIKeyBXPDSOHVPJHPKB-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)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

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1126109
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
1-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802741
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164898776
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119483346
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone (CID 78791820) is (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is BXPDSOHVPJHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-23-19-9-7-18(8-10-19)20(22)21-13-11-17(12-14-21)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone?
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 325.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 78791820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).