(3R)-3-methylpiperidin-2-one

C6H11NO — CID 6931963

IUPAC(3R)-3-methylpiperidin-2-one
SMILESC[C@@H]1CCCNC1=O
InChIInChI=1S/C6H11NO/c1-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)/t5-/m1/s1
InChIKeyPHGAOXNFCZKFTR-RXMQYKEDSA-N
MW113.16 g/mol
LogP0.53
Rot. Bonds

About (3R)-3-methylpiperidin-2-one

(3R)-3-methylpiperidin-2-one (PubChem CID 6931963) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3R)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-methylpiperidin-2-one
PubChem CID6931963
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3R)-3-methylpiperidin-2-one
SMILESC[C@@H]1CCCNC1=O
InChIInChI=1S/C6H11NO/c1-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)/t5-/m1/s1
InChIKeyPHGAOXNFCZKFTR-RXMQYKEDSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylpiperidin-2-one?
The IUPAC name of (3R)-3-methylpiperidin-2-one (CID 6931963) is (3R)-3-methylpiperidin-2-one.
What is the SMILES notation for (3R)-3-methylpiperidin-2-one?
The canonical SMILES for (3R)-3-methylpiperidin-2-one is C[C@@H]1CCCNC1=O.
What is the InChIKey of (3R)-3-methylpiperidin-2-one?
The InChIKey is PHGAOXNFCZKFTR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)/t5-/m1/s1.
What are the key properties of (3R)-3-methylpiperidin-2-one?
(3R)-3-methylpiperidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylpiperidin-2-one is sourced from PubChem (CID 6931963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).