(4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

C19H17ClN2OS — CID 162901549

IUPAC(4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2c(Cl)cccc2s1)N1CCCCC1c1cccnc1
InChIInChI=1S/C19H17ClN2OS/c20-15-6-3-8-17-14(15)11-18(24-17)19(23)22-10-2-1-7-16(22)13-5-4-9-21-12-13/h3-6,8-9,11-12,16H,1-2,7,10H2
InChIKeyTZOFNJOBRFKMDR-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.32
Rot. Bonds2

About (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

(4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 162901549) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID162901549
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name(4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2c(Cl)cccc2s1)N1CCCCC1c1cccnc1
InChIInChI=1S/C19H17ClN2OS/c20-15-6-3-8-17-14(15)11-18(24-17)19(23)22-10-2-1-7-16(22)13-5-4-9-21-12-13/h3-6,8-9,11-12,16H,1-2,7,10H2
InChIKeyTZOFNJOBRFKMDR-UHFFFAOYSA-N
XLogP5.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-benzothiophen-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 127252874
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 63658212
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
4,5-dihydrobenzo[g][1]benzothiol-2-yl-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 42921875
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 162901549) is (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1cc2c(Cl)cccc2s1)N1CCCCC1c1cccnc1.
What is the InChIKey of (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is TZOFNJOBRFKMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c20-15-6-3-8-17-14(15)11-18(24-17)19(23)22-10-2-1-7-16(22)13-5-4-9-21-12-13/h3-6,8-9,11-12,16H,1-2,7,10H2.
What are the key properties of (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
(4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 356.88 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 162901549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).