4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C16H23N3O2S — CID 687901

IUPAC4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H23N3O2S/c17-15(21)16(19-8-2-1-3-9-19)6-10-18(11-7-16)14(20)13-5-4-12-22-13/h4-5,12H,1-3,6-11H2,(H2,17,21)
InChIKeyYJSCIKKMSHRUOU-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.69
Rot. Bonds3

About 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 687901) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID687901
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H23N3O2S/c17-15(21)16(19-8-2-1-3-9-19)6-10-18(11-7-16)14(20)13-5-4-12-22-13/h4-5,12H,1-3,6-11H2,(H2,17,21)
InChIKeyYJSCIKKMSHRUOU-UHFFFAOYSA-N
XLogP1.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 687901) is 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is YJSCIKKMSHRUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c17-15(21)16(19-8-2-1-3-9-19)6-10-18(11-7-16)14(20)13-5-4-12-22-13/h4-5,12H,1-3,6-11H2,(H2,17,21).
What are the key properties of 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 687901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).