(5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone

C14H19F2N3O — CID 138012674

IUPAC(5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone
SMILESCC1CCC(F)(F)CN1C(=O)C1CCc2cncn2C1
InChIInChI=1S/C14H19F2N3O/c1-10-4-5-14(15,16)8-19(10)13(20)11-2-3-12-6-17-9-18(12)7-11/h6,9-11H,2-5,7-8H2,1H3
InChIKeyNMPNGFSYYJTELB-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.09
Rot. Bonds1

About (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone

(5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone (PubChem CID 138012674) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone
PubChem CID138012674
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name(5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone
SMILESCC1CCC(F)(F)CN1C(=O)C1CCc2cncn2C1
InChIInChI=1S/C14H19F2N3O/c1-10-4-5-14(15,16)8-19(10)13(20)11-2-3-12-6-17-9-18(12)7-11/h6,9-11H,2-5,7-8H2,1H3
InChIKeyNMPNGFSYYJTELB-UHFFFAOYSA-N
XLogP2.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone (CID 138012674) is (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone is CC1CCC(F)(F)CN1C(=O)C1CCc2cncn2C1.
What is the InChIKey of (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is NMPNGFSYYJTELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-10-4-5-14(15,16)8-19(10)13(20)11-2-3-12-6-17-9-18(12)7-11/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone?
(5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 283.32 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-2-methylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 138012674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).