2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

C11H14ClNOS — CID 82130314

IUPAC2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(CCl)N1CCC(c2cccs2)CC1
InChIInChI=1S/C11H14ClNOS/c12-8-11(14)13-5-3-9(4-6-13)10-2-1-7-15-10/h1-2,7,9H,3-6,8H2
InChIKeyIDKLYFARRKUNNT-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (PubChem CID 82130314) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
PubChem CID82130314
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(CCl)N1CCC(c2cccs2)CC1
InChIInChI=1S/C11H14ClNOS/c12-8-11(14)13-5-3-9(4-6-13)10-2-1-7-15-10/h1-2,7,9H,3-6,8H2
InChIKeyIDKLYFARRKUNNT-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82128116
4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid
CID 82134002
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)propan-1-one
CID 90522107
hydroxymethyl 3-thiophen-2-ylpyrrolidine-1-carboxylate
CID 154081566
(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71786847
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 71786887
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786844
3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71960797
(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 90522164
2-chloro-1-(7-phenyl-1,4-thiazepan-4-yl)ethanone
CID 90629357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (CID 82130314) is 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is O=C(CCl)N1CCC(c2cccs2)CC1.
What is the InChIKey of 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The InChIKey is IDKLYFARRKUNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-8-11(14)13-5-3-9(4-6-13)10-2-1-7-15-10/h1-2,7,9H,3-6,8H2.
What are the key properties of 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone has a molecular weight of 243.76 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82130314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).