1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide

C16H22N2O3S — CID 7217398

IUPAC1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1
InChIInChI=1S/C16H22N2O3S/c17-14(19)12-3-7-18(8-4-12)15(20)16(5-9-21-10-6-16)13-2-1-11-22-13/h1-2,11-12H,3-10H2,(H2,17,19)
InChIKeyVPQBDTGQEPPDNL-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.52
Rot. Bonds3

About 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide

1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide (PubChem CID 7217398) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide
PubChem CID7217398
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1
InChIInChI=1S/C16H22N2O3S/c17-14(19)12-3-7-18(8-4-12)15(20)16(5-9-21-10-6-16)13-2-1-11-22-13/h1-2,11-12H,3-10H2,(H2,17,19)
InChIKeyVPQBDTGQEPPDNL-UHFFFAOYSA-N
XLogP1.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide (CID 7217398) is 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1.
What is the InChIKey of 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is VPQBDTGQEPPDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c17-14(19)12-3-7-18(8-4-12)15(20)16(5-9-21-10-6-16)13-2-1-11-22-13/h1-2,11-12H,3-10H2,(H2,17,19).
What are the key properties of 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide?
1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 7217398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).