2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one

C16H25NO3 — CID 81329846

IUPAC2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one
SMILESCC1CCC(C(=O)N2CCCCC2C2CCCC2=O)O1
InChIInChI=1S/C16H25NO3/c1-11-8-9-15(20-11)16(19)17-10-3-2-6-13(17)12-5-4-7-14(12)18/h11-13,15H,2-10H2,1H3
InChIKeyNPAFXUYGVQTPJW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.30
Rot. Bonds2

About 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 81329846) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID81329846
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one
SMILESCC1CCC(C(=O)N2CCCCC2C2CCCC2=O)O1
InChIInChI=1S/C16H25NO3/c1-11-8-9-15(20-11)16(19)17-10-3-2-6-13(17)12-5-4-7-14(12)18/h11-13,15H,2-10H2,1H3
InChIKeyNPAFXUYGVQTPJW-UHFFFAOYSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one (CID 81329846) is 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one is CC1CCC(C(=O)N2CCCCC2C2CCCC2=O)O1.
What is the InChIKey of 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is NPAFXUYGVQTPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-8-9-15(20-11)16(19)17-10-3-2-6-13(17)12-5-4-7-14(12)18/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 279.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 81329846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).