(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C15H16ClNO2S — CID 43403203

IUPAC(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCCC(CO)C1
InChIInChI=1S/C15H16ClNO2S/c16-13-11-5-1-2-6-12(11)20-14(13)15(19)17-7-3-4-10(8-17)9-18/h1-2,5-6,10,18H,3-4,7-9H2
InChIKeyAXQDWEOLFHGOLL-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.40
Rot. Bonds2

About (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43403203) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43403203
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCCC(CO)C1
InChIInChI=1S/C15H16ClNO2S/c16-13-11-5-1-2-6-12(11)20-14(13)15(19)17-7-3-4-10(8-17)9-18/h1-2,5-6,10,18H,3-4,7-9H2
InChIKeyAXQDWEOLFHGOLL-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-(3-chloro-1-benzothiophen-2-yl)methanone
CID 1000910
(3-chloro-1-benzothiophen-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261276
(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80640844
(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107932212
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
(3-amino-4-bromo-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114888993
(3-chloro-1-benzothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 889572
[1-(3-chloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41309789
1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]piperidine-3-carboxamide
CID 23904003

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43403203) is (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1sc2ccccc2c1Cl)N1CCCC(CO)C1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is AXQDWEOLFHGOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-13-11-5-1-2-6-12(11)20-14(13)15(19)17-7-3-4-10(8-17)9-18/h1-2,5-6,10,18H,3-4,7-9H2.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 309.82 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43403203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).