(4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C19H22N2OS — CID 95807068

IUPAC(4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2c1CCCC2)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(17-13-23-18-4-2-1-3-16(17)18)21-11-7-15(8-12-21)14-5-9-20-10-6-14/h5-6,9-10,13,15H,1-4,7-8,11-12H2
InChIKeyXFGZRFCBLQBEPD-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.04
Rot. Bonds2

About (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

(4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 95807068) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID95807068
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name(4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2c1CCCC2)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(17-13-23-18-4-2-1-3-16(17)18)21-11-7-15(8-12-21)14-5-9-20-10-6-14/h5-6,9-10,13,15H,1-4,7-8,11-12H2
InChIKeyXFGZRFCBLQBEPD-UHFFFAOYSA-N
XLogP4.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 95807068) is (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is O=C(c1csc2c1CCCC2)N1CCC(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is XFGZRFCBLQBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(17-13-23-18-4-2-1-3-16(17)18)21-11-7-15(8-12-21)14-5-9-20-10-6-14/h5-6,9-10,13,15H,1-4,7-8,11-12H2.
What are the key properties of (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
(4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 326.46 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 95807068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).