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

C16H23F2N3O — CID 164559331

IUPAC3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one
SMILESNc1cc(C2CC2)cn(CCCN2CCCC(F)(F)C2)c1=O
InChIInChI=1S/C16H23F2N3O/c17-16(18)5-1-6-20(11-16)7-2-8-21-10-13(12-3-4-12)9-14(19)15(21)22/h9-10,12H,1-8,11,19H2
InChIKeyQNZBTXBWXRQJSK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.43
Rot. Bonds5

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

3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one (PubChem CID 164559331) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one
PubChem CID164559331
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one
SMILESNc1cc(C2CC2)cn(CCCN2CCCC(F)(F)C2)c1=O
InChIInChI=1S/C16H23F2N3O/c17-16(18)5-1-6-20(11-16)7-2-8-21-10-13(12-3-4-12)9-14(19)15(21)22/h9-10,12H,1-8,11,19H2
InChIKeyQNZBTXBWXRQJSK-UHFFFAOYSA-N
XLogP2.43
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one?
The IUPAC name of 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one (CID 164559331) is 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one is Nc1cc(C2CC2)cn(CCCN2CCCC(F)(F)C2)c1=O.
What is the InChIKey of 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one?
The InChIKey is QNZBTXBWXRQJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c17-16(18)5-1-6-20(11-16)7-2-8-21-10-13(12-3-4-12)9-14(19)15(21)22/h9-10,12H,1-8,11,19H2.
What are the key properties of 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one?
3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropiperidin-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 164559331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).