(5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C16H23ClN2O2S — CID 91916432

IUPAC(5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCN1CCC(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1
InChIInChI=1S/C16H23ClN2O2S/c1-18-8-4-12(5-9-18)21-13-6-10-19(11-7-13)16(20)14-2-3-15(17)22-14/h2-3,12-13H,4-11H2,1H3
InChIKeyWUXHSEWRQVSNRW-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.12
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916432) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916432
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC Name(5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCN1CCC(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1
InChIInChI=1S/C16H23ClN2O2S/c1-18-8-4-12(5-9-18)21-13-6-10-19(11-7-13)16(20)14-2-3-15(17)22-14/h2-3,12-13H,4-11H2,1H3
InChIKeyWUXHSEWRQVSNRW-UHFFFAOYSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916432) is (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is CN1CCC(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is WUXHSEWRQVSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-18-8-4-12(5-9-18)21-13-6-10-19(11-7-13)16(20)14-2-3-15(17)22-14/h2-3,12-13H,4-11H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 342.89 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).