3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one

C12H19F3N2O — CID 106211601

IUPAC3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one
SMILESCC(C)NC1CCCN(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H19F3N2O/c1-8(2)16-9-4-3-7-17(10(9)18)11(5-6-11)12(13,14)15/h8-9,16H,3-7H2,1-2H3
InChIKeyMCVDEIAJPOHDQO-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.07
Rot. Bonds3

About 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one

3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one (PubChem CID 106211601) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one.

Molecular Properties

Compound Name3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one
PubChem CID106211601
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one
SMILESCC(C)NC1CCCN(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H19F3N2O/c1-8(2)16-9-4-3-7-17(10(9)18)11(5-6-11)12(13,14)15/h8-9,16H,3-7H2,1-2H3
InChIKeyMCVDEIAJPOHDQO-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one?
The IUPAC name of 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one (CID 106211601) is 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one.
What is the SMILES notation for 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one?
The canonical SMILES for 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one is CC(C)NC1CCCN(C2(C(F)(F)F)CC2)C1=O.
What is the InChIKey of 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one?
The InChIKey is MCVDEIAJPOHDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8(2)16-9-4-3-7-17(10(9)18)11(5-6-11)12(13,14)15/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one?
3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one has a molecular weight of 264.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one is sourced from PubChem (CID 106211601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).