3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one

C13H21NO2 — CID 118086789

IUPAC3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one
SMILESCC(C)C1CCN(C(=O)C2CC(=O)C2)CC1
InChIInChI=1S/C13H21NO2/c1-9(2)10-3-5-14(6-4-10)13(16)11-7-12(15)8-11/h9-11H,3-8H2,1-2H3
InChIKeyRMNCUBPFPDYJAD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds2

About 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one

3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one (PubChem CID 118086789) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one
PubChem CID118086789
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one
SMILESCC(C)C1CCN(C(=O)C2CC(=O)C2)CC1
InChIInChI=1S/C13H21NO2/c1-9(2)10-3-5-14(6-4-10)13(16)11-7-12(15)8-11/h9-11H,3-8H2,1-2H3
InChIKeyRMNCUBPFPDYJAD-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
3-(4-methoxypiperidine-1-carbonyl)cyclobutan-1-one
CID 171109226
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 118902075
4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81478905
[(1R,2S)-2-nitrooxy-4-(4-propan-2-ylpiperidine-1-carbonyl)cyclopentyl] nitrate
CID 59178161
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 169258026
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one?
The IUPAC name of 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one (CID 118086789) is 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one.
What is the SMILES notation for 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one?
The canonical SMILES for 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one is CC(C)C1CCN(C(=O)C2CC(=O)C2)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one?
The InChIKey is RMNCUBPFPDYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)10-3-5-14(6-4-10)13(16)11-7-12(15)8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one?
3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one is sourced from PubChem (CID 118086789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).