(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone

C14H19NO2S — CID 4635913

IUPAC(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C14H19NO2S/c1-17-13-10-11(18-2)6-7-12(13)14(16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyKSJMXHOKWMSTGM-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.04
Rot. Bonds3

About (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone

(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone (PubChem CID 4635913) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone
PubChem CID4635913
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCCCC1
InChIInChI=1S/C14H19NO2S/c1-17-13-10-11(18-2)6-7-12(13)14(16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyKSJMXHOKWMSTGM-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1126109
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7698906
(2-methoxy-4-nitrophenyl)-piperidin-1-ylmethanone
CID 68540547
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 9100615
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone (CID 4635913) is (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone is COc1cc(SC)ccc1C(=O)N1CCCCC1.
What is the InChIKey of (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone?
The InChIKey is KSJMXHOKWMSTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-17-13-10-11(18-2)6-7-12(13)14(16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone?
(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone has a molecular weight of 265.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 4635913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).