(3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone

C17H17ClN2OS — CID 71032593

IUPAC(3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone
SMILESCc1cccc(C=C2CCN(C(=O)c3sccc3Cl)CC2)n1
InChIInChI=1S/C17H17ClN2OS/c1-12-3-2-4-14(19-12)11-13-5-8-20(9-6-13)17(21)16-15(18)7-10-22-16/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyQKJPLWJFKBNRFL-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.42
Rot. Bonds2

About (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone

(3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone (PubChem CID 71032593) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone
PubChem CID71032593
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name(3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone
SMILESCc1cccc(C=C2CCN(C(=O)c3sccc3Cl)CC2)n1
InChIInChI=1S/C17H17ClN2OS/c1-12-3-2-4-14(19-12)11-13-5-8-20(9-6-13)17(21)16-15(18)7-10-22-16/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyQKJPLWJFKBNRFL-UHFFFAOYSA-N
XLogP4.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone (CID 71032593) is (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone is Cc1cccc(C=C2CCN(C(=O)c3sccc3Cl)CC2)n1.
What is the InChIKey of (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone?
The InChIKey is QKJPLWJFKBNRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-12-3-2-4-14(19-12)11-13-5-8-20(9-6-13)17(21)16-15(18)7-10-22-16/h2-4,7,10-11H,5-6,8-9H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone?
(3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone has a molecular weight of 332.86 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[4-[(6-methyl-2-pyridinyl)methylidene]piperidin-1-yl]methanone is sourced from PubChem (CID 71032593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).