(4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone

C17H19NOS — CID 779610

IUPAC(4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H19NOS/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
InChIKeyWQEXXRHQNSFQCS-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.84
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone

(4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 779610) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone
PubChem CID779610
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H19NOS/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
InChIKeyWQEXXRHQNSFQCS-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone (CID 779610) is (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is WQEXXRHQNSFQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(16-7-4-12-20-16)18-10-8-15(9-11-18)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2.
What are the key properties of (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone?
(4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 285.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 779610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).