4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide

C23H30N2O2S — CID 71787095

IUPAC4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H30N2O2S/c26-22(23(10-16-27-17-11-23)20-5-2-1-3-6-20)24-12-15-25-13-8-19(9-14-25)21-7-4-18-28-21/h1-7,18-19H,8-17H2,(H,24,26)
InChIKeyWSIUARWIGPCNMF-UHFFFAOYSA-N
MW398.57 g/mol
LogP3.79
Rot. Bonds6

About 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide

4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide (PubChem CID 71787095) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide
PubChem CID71787095
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H30N2O2S/c26-22(23(10-16-27-17-11-23)20-5-2-1-3-6-20)24-12-15-25-13-8-19(9-14-25)21-7-4-18-28-21/h1-7,18-19H,8-17H2,(H,24,26)
InChIKeyWSIUARWIGPCNMF-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide (CID 71787095) is 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide is O=C(NCCN1CCC(c2cccs2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide?
The InChIKey is WSIUARWIGPCNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c26-22(23(10-16-27-17-11-23)20-5-2-1-3-6-20)24-12-15-25-13-8-19(9-14-25)21-7-4-18-28-21/h1-7,18-19H,8-17H2,(H,24,26).
What are the key properties of 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide?
4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide has a molecular weight of 398.57 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 71787095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).