3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one

C20H30F2N2O — CID 164559343

IUPAC3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one
SMILESCC(C)(C)c1cc(C2CC2)cn(CCCN2CCCC(F)(F)C2)c1=O
InChIInChI=1S/C20H30F2N2O/c1-19(2,3)17-12-16(15-6-7-15)13-24(18(17)25)11-5-10-23-9-4-8-20(21,22)14-23/h12-13,15H,4-11,14H2,1-3H3
InChIKeyCKKCGHISKMFKRP-UHFFFAOYSA-N
MW352.47 g/mol
LogP4.14
Rot. Bonds5

About 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one

3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one (PubChem CID 164559343) has the molecular formula C20H30F2N2O and a molecular weight of 352.47 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one
PubChem CID164559343
Molecular FormulaC20H30F2N2O
Molecular Weight352.47 g/mol
Exact Mass352.23
IUPAC Name3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one
SMILESCC(C)(C)c1cc(C2CC2)cn(CCCN2CCCC(F)(F)C2)c1=O
InChIInChI=1S/C20H30F2N2O/c1-19(2,3)17-12-16(15-6-7-15)13-24(18(17)25)11-5-10-23-9-4-8-20(21,22)14-23/h12-13,15H,4-11,14H2,1-3H3
InChIKeyCKKCGHISKMFKRP-UHFFFAOYSA-N
XLogP4.14
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one?
The IUPAC name of 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one (CID 164559343) is 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one is CC(C)(C)c1cc(C2CC2)cn(CCCN2CCCC(F)(F)C2)c1=O.
What is the InChIKey of 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one?
The InChIKey is CKKCGHISKMFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N2O/c1-19(2,3)17-12-16(15-6-7-15)13-24(18(17)25)11-5-10-23-9-4-8-20(21,22)14-23/h12-13,15H,4-11,14H2,1-3H3.
What are the key properties of 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one?
3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one has a molecular weight of 352.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 164559343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).