3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one

C12H19NO3 — CID 114499767

IUPAC3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one
SMILESCC1CN(C(=O)C2OCCC2C)CCC1=O
InChIInChI=1S/C12H19NO3/c1-8-4-6-16-11(8)12(15)13-5-3-10(14)9(2)7-13/h8-9,11H,3-7H2,1-2H3
InChIKeyXZRGMVJUGTWPKF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.85
Rot. Bonds1

About 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one

3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one (PubChem CID 114499767) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one
PubChem CID114499767
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one
SMILESCC1CN(C(=O)C2OCCC2C)CCC1=O
InChIInChI=1S/C12H19NO3/c1-8-4-6-16-11(8)12(15)13-5-3-10(14)9(2)7-13/h8-9,11H,3-7H2,1-2H3
InChIKeyXZRGMVJUGTWPKF-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyloxolane-2-carbonyl)-1,4-diazepan-5-one
CID 81448608
(3-chloro-4-methylpiperidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 102961746
1-(cyclohexanecarbonyl)-3-methylpiperidin-4-one
CID 114499917
(4aS,8aR)-6-[(2S,3R)-3-methyloxolane-2-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 124888908
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 103575749
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone
CID 81448721
N,N,3-trimethyl-4-oxopiperidine-1-carboxamide
CID 114500015
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-methyloxolan-2-yl)methanone
CID 114506649
(3-methyloxolan-2-yl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498603
(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 81462888
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 34180905
1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490234

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one (CID 114499767) is 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one is CC1CN(C(=O)C2OCCC2C)CCC1=O.
What is the InChIKey of 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one?
The InChIKey is XZRGMVJUGTWPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-4-6-16-11(8)12(15)13-5-3-10(14)9(2)7-13/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one?
3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one has a molecular weight of 225.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 114499767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).