1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one

C14H23NO3 — CID 79548735

IUPAC1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)C1CCCOC1
InChIInChI=1S/C14H23NO3/c1-11(16)9-13-6-2-3-7-15(13)14(17)12-5-4-8-18-10-12/h12-13H,2-10H2,1H3
InChIKeyRANGUWLZPRVENB-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.77
Rot. Bonds3

About 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one

1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one (PubChem CID 79548735) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one
PubChem CID79548735
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)C1CCCOC1
InChIInChI=1S/C14H23NO3/c1-11(16)9-13-6-2-3-7-15(13)14(17)12-5-4-8-18-10-12/h12-13H,2-10H2,1H3
InChIKeyRANGUWLZPRVENB-UHFFFAOYSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one (CID 79548735) is 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)C1CCCOC1.
What is the InChIKey of 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one?
The InChIKey is RANGUWLZPRVENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(16)9-13-6-2-3-7-15(13)14(17)12-5-4-8-18-10-12/h12-13H,2-10H2,1H3.
What are the key properties of 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one?
1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one has a molecular weight of 253.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxane-3-carbonyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79548735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).