1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone

C23H30N2OS — CID 71801931

IUPAC1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(c2cccs2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2OS/c26-23(18-24-12-10-21(11-13-24)22-7-4-16-27-22)25-14-8-20(9-15-25)17-19-5-2-1-3-6-19/h1-7,16,20-21H,8-15,17-18H2
InChIKeyCGNCYSGJKLGINU-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.41
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone

1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone (PubChem CID 71801931) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone
PubChem CID71801931
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(c2cccs2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2OS/c26-23(18-24-12-10-21(11-13-24)22-7-4-16-27-22)25-14-8-20(9-15-25)17-19-5-2-1-3-6-19/h1-7,16,20-21H,8-15,17-18H2
InChIKeyCGNCYSGJKLGINU-UHFFFAOYSA-N
XLogP4.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone (CID 71801931) is 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone is O=C(CN1CCC(c2cccs2)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The InChIKey is CGNCYSGJKLGINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c26-23(18-24-12-10-21(11-13-24)22-7-4-16-27-22)25-14-8-20(9-15-25)17-19-5-2-1-3-6-19/h1-7,16,20-21H,8-15,17-18H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone has a molecular weight of 382.57 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(4-thiophen-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71801931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).