1-cyclopropyl-3,3-dimethylpiperidin-4-one

C10H17NO — CID 117024261

IUPAC1-cyclopropyl-3,3-dimethylpiperidin-4-one
SMILESCC1(C)CN(C2CC2)CCC1=O
InChIInChI=1S/C10H17NO/c1-10(2)7-11(8-3-4-8)6-5-9(10)12/h8H,3-7H2,1-2H3
InChIKeyGQBRAMONXYZSKY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds1

About 1-cyclopropyl-3,3-dimethylpiperidin-4-one

1-cyclopropyl-3,3-dimethylpiperidin-4-one (PubChem CID 117024261) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethylpiperidin-4-one
PubChem CID117024261
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclopropyl-3,3-dimethylpiperidin-4-one
SMILESCC1(C)CN(C2CC2)CCC1=O
InChIInChI=1S/C10H17NO/c1-10(2)7-11(8-3-4-8)6-5-9(10)12/h8H,3-7H2,1-2H3
InChIKeyGQBRAMONXYZSKY-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3,3-dimethylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-2,5-dimethyl-1-(methylethyl)piperidin-4-one
CID 5200421
4,4-Dimethyl-1-(piperidin-1-yl)pentan-3-one
CID 915111
4-(3,3-Dimethylpiperidin-1-yl)butan-2-one
CID 64063300
2,5-Dimethyl-1-(1-methylethyl)-4-piperidinone
CID 4912873
1-t-Butyl-3-methyl-4-piperidone
CID 4259051
1,3,3-Trimethylpiperidin-4-one
CID 13556123
N-t-butyl-3,5-dimethylpiperid-4-one
CID 59563407
1,3,3,5-Tetramethyl-4-piperidone
CID 91007671
1-Tert-butyl-5-fluoro-3,3-dimethylpiperidin-4-one
CID 90176647
1-Cyclopropyl-2,3-dimethylpiperidin-4-one
CID 4431383
1,1,3,5,5-Pentamethyl-4-oxopiperidinium iodide
CID 129809819
1-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-one
CID 55098226

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethylpiperidin-4-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethylpiperidin-4-one (CID 117024261) is 1-cyclopropyl-3,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethylpiperidin-4-one is CC1(C)CN(C2CC2)CCC1=O.
What is the InChIKey of 1-cyclopropyl-3,3-dimethylpiperidin-4-one?
The InChIKey is GQBRAMONXYZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)7-11(8-3-4-8)6-5-9(10)12/h8H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-3,3-dimethylpiperidin-4-one?
1-cyclopropyl-3,3-dimethylpiperidin-4-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethylpiperidin-4-one is sourced from PubChem (CID 117024261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).