1-cyclopropyl-4-propan-2-ylpiperidin-2-one

C11H19NO — CID 154930951

IUPAC1-cyclopropyl-4-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C11H19NO/c1-8(2)9-5-6-12(10-3-4-10)11(13)7-9/h8-10H,3-7H2,1-2H3
InChIKeyRXDBNCJFBRKGPU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds2

About 1-cyclopropyl-4-propan-2-ylpiperidin-2-one

1-cyclopropyl-4-propan-2-ylpiperidin-2-one (PubChem CID 154930951) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylpiperidin-2-one
PubChem CID154930951
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclopropyl-4-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C11H19NO/c1-8(2)9-5-6-12(10-3-4-10)11(13)7-9/h8-10H,3-7H2,1-2H3
InChIKeyRXDBNCJFBRKGPU-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-di(propan-2-yl)piperidin-2-one
CID 59815013
1-cyclopropyl-4-ethylpiperidin-2-one
CID 153405056
4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
CID 168701862
1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 146559107
4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
CID 168661983
[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680639
1-cyclopropyl-4-propan-2-ylpiperazin-2-one
CID 134166310
1-(1-cyclopropylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 176873333
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
4-amino-1-cyclopentylpiperidin-2-one
CID 83636323
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
(4S)-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 129101287

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperidin-2-one (CID 154930951) is 1-cyclopropyl-4-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylpiperidin-2-one is CC(C)C1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylpiperidin-2-one?
The InChIKey is RXDBNCJFBRKGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)9-5-6-12(10-3-4-10)11(13)7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-propan-2-ylpiperidin-2-one?
1-cyclopropyl-4-propan-2-ylpiperidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 154930951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).