[5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone

C16H16ClNOS — CID 2823748

IUPAC[5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(-c2ccc(Cl)cc2)c1)N1CCCCC1
InChIInChI=1S/C16H16ClNOS/c17-14-6-4-12(5-7-14)15-10-13(11-20-15)16(19)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2
InChIKeyNGEIORFKAWRGGP-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.69
Rot. Bonds2

About [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone

[5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone (PubChem CID 2823748) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone
PubChem CID2823748
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name[5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(-c2ccc(Cl)cc2)c1)N1CCCCC1
InChIInChI=1S/C16H16ClNOS/c17-14-6-4-12(5-7-14)15-10-13(11-20-15)16(19)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2
InChIKeyNGEIORFKAWRGGP-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone (CID 2823748) is [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone is O=C(c1csc(-c2ccc(Cl)cc2)c1)N1CCCCC1.
What is the InChIKey of [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone?
The InChIKey is NGEIORFKAWRGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c17-14-6-4-12(5-7-14)15-10-13(11-20-15)16(19)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2.
What are the key properties of [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone?
[5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone has a molecular weight of 305.83 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2823748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).