2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one

C16H27NO2 — CID 79545467

IUPAC2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CC1CCCCO1
InChIInChI=1S/C16H27NO2/c18-16-9-5-7-14(16)15-8-1-3-10-17(15)12-13-6-2-4-11-19-13/h13-15H,1-12H2
InChIKeyCTRRBFBVVIKUAX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds3

About 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79545467) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79545467
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CC1CCCCO1
InChIInChI=1S/C16H27NO2/c18-16-9-5-7-14(16)15-8-1-3-10-17(15)12-13-6-2-4-11-19-13/h13-15H,1-12H2
InChIKeyCTRRBFBVVIKUAX-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one (CID 79545467) is 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1CC1CCCCO1.
What is the InChIKey of 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is CTRRBFBVVIKUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-16-9-5-7-14(16)15-8-1-3-10-17(15)12-13-6-2-4-11-19-13/h13-15H,1-12H2.
What are the key properties of 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79545467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).