(4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone

C22H27NO2S — CID 7243502

IUPAC(4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone
SMILESO=C(N1CCC(Cc2ccccc2)CC1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C22H27NO2S/c24-21(22(10-14-25-15-11-22)20-7-4-16-26-20)23-12-8-19(9-13-23)17-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2
InChIKeyBEWCLFZPDGWUBM-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.28
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone

(4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone (PubChem CID 7243502) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone
PubChem CID7243502
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name(4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone
SMILESO=C(N1CCC(Cc2ccccc2)CC1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C22H27NO2S/c24-21(22(10-14-25-15-11-22)20-7-4-16-26-20)23-12-8-19(9-13-23)17-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2
InChIKeyBEWCLFZPDGWUBM-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone (CID 7243502) is (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone is O=C(N1CCC(Cc2ccccc2)CC1)C1(c2cccs2)CCOCC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone?
The InChIKey is BEWCLFZPDGWUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c24-21(22(10-14-25-15-11-22)20-7-4-16-26-20)23-12-8-19(9-13-23)17-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone has a molecular weight of 369.53 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone is sourced from PubChem (CID 7243502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).