6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide

C13H18N2O3 — CID 662532

IUPAC6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc(=O)oc1
InChIInChI=1S/C13H18N2O3/c16-12-5-4-11(10-18-12)13(17)14-6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9H2,(H,14,17)
InChIKeyAUCCSLDJMHOAAZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.86
Rot. Bonds4

About 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide

6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide (PubChem CID 662532) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
PubChem CID662532
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc(=O)oc1
InChIInChI=1S/C13H18N2O3/c16-12-5-4-11(10-18-12)13(17)14-6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9H2,(H,14,17)
InChIKeyAUCCSLDJMHOAAZ-UHFFFAOYSA-N
XLogP0.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 662254
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CID 662756
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CID 659434
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CID 930140
CID 930140
CID 930353
CID 930353
CID 935448
CID 935448
CID 1953834
CID 1953834
CID 2027404
CID 2027404
CID 2027405
CID 2027405
CID 4299302
CID 4299302
CID 6953717
CID 6953717

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide (CID 662532) is 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide is O=C(NCCN1CCCCC1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The InChIKey is AUCCSLDJMHOAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-5-4-11(10-18-12)13(17)14-6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9H2,(H,14,17).
What are the key properties of 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide is sourced from PubChem (CID 662532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).