(5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone

C14H14ClNOS2 — CID 71786858

IUPAC(5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C14H14ClNOS2/c15-13-4-3-12(19-13)14(17)16-7-5-10(6-8-16)11-2-1-9-18-11/h1-4,9-10H,5-8H2
InChIKeyKXTAVTUQOUNMDL-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.48
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone (PubChem CID 71786858) has the molecular formula C14H14ClNOS2 and a molecular weight of 311.86 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
PubChem CID71786858
Molecular FormulaC14H14ClNOS2
Molecular Weight311.86 g/mol
Exact Mass311.02
IUPAC Name(5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C14H14ClNOS2/c15-13-4-3-12(19-13)14(17)16-7-5-10(6-8-16)11-2-1-9-18-11/h1-4,9-10H,5-8H2
InChIKeyKXTAVTUQOUNMDL-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone (CID 71786858) is (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(Cl)s1)N1CCC(c2cccs2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The InChIKey is KXTAVTUQOUNMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS2/c15-13-4-3-12(19-13)14(17)16-7-5-10(6-8-16)11-2-1-9-18-11/h1-4,9-10H,5-8H2.
What are the key properties of (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone has a molecular weight of 311.86 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71786858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).