(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone

C20H23NOS — CID 17312948

IUPAC(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1
InChIInChI=1S/C20H23NOS/c1-16-11-13-21(14-12-16)20(22)18-9-7-17(8-10-18)15-23-19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3
InChIKeyGUTZTKQEODLCIO-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.85
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone

(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone (PubChem CID 17312948) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
PubChem CID17312948
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1
InChIInChI=1S/C20H23NOS/c1-16-11-13-21(14-12-16)20(22)18-9-7-17(8-10-18)15-23-19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3
InChIKeyGUTZTKQEODLCIO-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[4-[4-(phenylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone
CID 112792143
2-[1-[4-(phenylsulfanylmethyl)benzoyl]piperidin-4-yl]acetic acid
CID 119178245
[4-(1-aminoethyl)piperidin-1-yl]-[4-(phenylsulfanylmethyl)phenyl]methanone;hydrochloride
CID 119520631
(4-methylpiperazin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 3692173
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 120815271
(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 112759878
(4-methyl-1,4-diazepan-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 112791425
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
(4-methylpiperidin-1-yl)-[4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]methanone
CID 6414107
6-[4-(phenylsulfanylmethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174894
1,4-diazepan-1-yl-[4-(phenylsulfanylmethyl)phenyl]methanone;hydrochloride
CID 119418401
3-methyl-1-[4-(phenylsulfanylmethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256669

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone (CID 17312948) is (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone is CC1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The InChIKey is GUTZTKQEODLCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-16-11-13-21(14-12-16)20(22)18-9-7-17(8-10-18)15-23-19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone has a molecular weight of 325.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 17312948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).