(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone

C20H23NO2S — CID 119064304

IUPAC(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone
SMILESCOC1CCCN(C(=O)c2ccc(-c3ccccc3SC)cc2)C1
InChIInChI=1S/C20H23NO2S/c1-23-17-6-5-13-21(14-17)20(22)16-11-9-15(10-12-16)18-7-3-4-8-19(18)24-2/h3-4,7-12,17H,5-6,13-14H2,1-2H3
InChIKeyKHNRVNBAANSUDO-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.33
Rot. Bonds4

About (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone

(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone (PubChem CID 119064304) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone
PubChem CID119064304
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone
SMILESCOC1CCCN(C(=O)c2ccc(-c3ccccc3SC)cc2)C1
InChIInChI=1S/C20H23NO2S/c1-23-17-6-5-13-21(14-17)20(22)16-11-9-15(10-12-16)18-7-3-4-8-19(18)24-2/h3-4,7-12,17H,5-6,13-14H2,1-2H3
InChIKeyKHNRVNBAANSUDO-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
(E)-3-[4-(3-methoxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 102964360
2-[2-(3-methoxypiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119181332
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
[4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone
CID 125438286
2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride
CID 102970898
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methylsulfanylphenyl)phenyl]methanone
CID 118779278
[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 95352949
1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
CID 126438840
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone (CID 119064304) is (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone is COC1CCCN(C(=O)c2ccc(-c3ccccc3SC)cc2)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone?
The InChIKey is KHNRVNBAANSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-23-17-6-5-13-21(14-17)20(22)16-11-9-15(10-12-16)18-7-3-4-8-19(18)24-2/h3-4,7-12,17H,5-6,13-14H2,1-2H3.
What are the key properties of (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone?
(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone has a molecular weight of 341.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone is sourced from PubChem (CID 119064304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).