1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one

C11H17NO2 — CID 107001623

IUPAC1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one
SMILESCC1(C)CC1C(=O)N1CCCC(=O)C1
InChIInChI=1S/C11H17NO2/c1-11(2)6-9(11)10(14)12-5-3-4-8(13)7-12/h9H,3-7H2,1-2H3
InChIKeyDPLOVFLBBMLBJS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.22
Rot. Bonds1

About 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one

1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one (PubChem CID 107001623) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one
PubChem CID107001623
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one
SMILESCC1(C)CC1C(=O)N1CCCC(=O)C1
InChIInChI=1S/C11H17NO2/c1-11(2)6-9(11)10(14)12-5-3-4-8(13)7-12/h9H,3-7H2,1-2H3
InChIKeyDPLOVFLBBMLBJS-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one
CID 130943642
[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 130676353
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 107000484
1-[(2S)-2-aminopropanoyl]piperidin-3-one
CID 66564387
1-(pyridazine-4-carbonyl)piperidin-3-one
CID 104670556
(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107002279
1-(1-methylpyrazole-3-carbonyl)piperidin-3-one
CID 103118157
2-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]-2-methylpropanethioamide
CID 107001586
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 102611992
1-propanoylazepan-4-one
CID 18675736
(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 104872314

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one?
The IUPAC name of 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one (CID 107001623) is 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one.
What is the SMILES notation for 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one?
The canonical SMILES for 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one is CC1(C)CC1C(=O)N1CCCC(=O)C1.
What is the InChIKey of 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one?
The InChIKey is DPLOVFLBBMLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2)6-9(11)10(14)12-5-3-4-8(13)7-12/h9H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one?
1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one has a molecular weight of 195.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one is sourced from PubChem (CID 107001623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).