1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one

C12H19NO2 — CID 10750918

IUPAC1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one
SMILESO=C1CCN(C[C@@H]2CCCC(=O)C2)CC1
InChIInChI=1S/C12H19NO2/c14-11-4-6-13(7-5-11)9-10-2-1-3-12(15)8-10/h10H,1-9H2/t10-/m1/s1
InChIKeyROUIQDADQCHNHZ-SNVBAGLBSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds2

About 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one

1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one (PubChem CID 10750918) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one
PubChem CID10750918
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one
SMILESO=C1CCN(C[C@@H]2CCCC(=O)C2)CC1
InChIInChI=1S/C12H19NO2/c14-11-4-6-13(7-5-11)9-10-2-1-3-12(15)8-10/h10H,1-9H2/t10-/m1/s1
InChIKeyROUIQDADQCHNHZ-SNVBAGLBSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 164656319
1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one
CID 172590869
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
1-(pyrrolidin-2-ylmethyl)azepan-4-one
CID 115020782
3-(iodomethyl)cycloheptan-1-one
CID 12564069
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one
CID 63009114
3-ethylcyclononan-1-one
CID 70178778
3-octylcyclohexan-1-one
CID 11830718

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one?
The IUPAC name of 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one (CID 10750918) is 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one.
What is the SMILES notation for 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one?
The canonical SMILES for 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one is O=C1CCN(C[C@@H]2CCCC(=O)C2)CC1.
What is the InChIKey of 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one?
The InChIKey is ROUIQDADQCHNHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11-4-6-13(7-5-11)9-10-2-1-3-12(15)8-10/h10H,1-9H2/t10-/m1/s1.
What are the key properties of 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one?
1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one is sourced from PubChem (CID 10750918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).