(3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C16H18ClNOS — CID 4152572

IUPAC(3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2sc3ccccc3c2Cl)C1
InChIInChI=1S/C16H18ClNOS/c1-10-7-11(2)9-18(8-10)16(19)15-14(17)12-5-3-4-6-13(12)20-15/h3-6,10-11H,7-9H2,1-2H3
InChIKeyQPSRKDVGLFGUQL-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.67
Rot. Bonds1

About (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 4152572) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID4152572
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2sc3ccccc3c2Cl)C1
InChIInChI=1S/C16H18ClNOS/c1-10-7-11(2)9-18(8-10)16(19)15-14(17)12-5-3-4-6-13(12)20-15/h3-6,10-11H,7-9H2,1-2H3
InChIKeyQPSRKDVGLFGUQL-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide
CID 903260
3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 673330
3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 2329285
N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 2464066
(3-Chloro-4-fluoro-1-benzothiophen-2-yl)(2,6-dimethylmorpholin-4-yl)methanone
CID 2971473
(S)-(3-chlorobenzo[b]thiophen-2-yl)(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)methanone
CID 44411921
3-chloro-N-[2-(morpholin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 678100
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
CID 874448
(3-chloro-1-benzothiophen-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889570
(3-chloro-1-benzothiophen-2-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 889571
3-chloro-6-fluoro-N-[3-(morpholin-4-yl)propyl]-1-benzothiophene-2-carboxamide
CID 2329891
3-chloro-6-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 2335634

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 4152572) is (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2sc3ccccc3c2Cl)C1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is QPSRKDVGLFGUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-10-7-11(2)9-18(8-10)16(19)15-14(17)12-5-3-4-6-13(12)20-15/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 307.85 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 4152572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).