1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one

C15H17NOS — CID 114500240

IUPAC1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
SMILESCC1CN(Cc2csc3ccccc23)CCC1=O
InChIInChI=1S/C15H17NOS/c1-11-8-16(7-6-14(11)17)9-12-10-18-15-5-3-2-4-13(12)15/h2-5,10-11H,6-9H2,1H3
InChIKeyLIUKUGQZRFGZCZ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.31
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one

1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one (PubChem CID 114500240) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
PubChem CID114500240
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
SMILESCC1CN(Cc2csc3ccccc23)CCC1=O
InChIInChI=1S/C15H17NOS/c1-11-8-16(7-6-14(11)17)9-12-10-18-15-5-3-2-4-13(12)15/h2-5,10-11H,6-9H2,1H3
InChIKeyLIUKUGQZRFGZCZ-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
1-(1-benzothiophen-3-ylmethyl)-3-(2-chloroethyl)pyrrolidine
CID 114800517
1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine
CID 64832605
(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
CID 129369862
1-(1-benzothiophen-3-ylmethyl)-4-bromo-3,3-dimethylpiperidine
CID 112747313
1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925714
2-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]acetic acid
CID 63738099
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-4-one
CID 102855971
1-(1-benzothiophen-3-ylmethyl)-3-propyl-1,4-diazepane
CID 64871472
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one (CID 114500240) is 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one is CC1CN(Cc2csc3ccccc23)CCC1=O.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one?
The InChIKey is LIUKUGQZRFGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-8-16(7-6-14(11)17)9-12-10-18-15-5-3-2-4-13(12)15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one?
1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one has a molecular weight of 259.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 114500240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).