(4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone

C15H16F2N2O2 — CID 172632426

IUPAC(4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone
SMILESC=C1CCOc2cc(C(=O)N3CCC(F)(F)CC3)cnc21
InChIInChI=1S/C15H16F2N2O2/c1-10-2-7-21-12-8-11(9-18-13(10)12)14(20)19-5-3-15(16,17)4-6-19/h8-9H,1-7H2
InChIKeyHFGHRMHGBADWOV-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.75
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone

(4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone (PubChem CID 172632426) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone
PubChem CID172632426
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone
SMILESC=C1CCOc2cc(C(=O)N3CCC(F)(F)CC3)cnc21
InChIInChI=1S/C15H16F2N2O2/c1-10-2-7-21-12-8-11(9-18-13(10)12)14(20)19-5-3-15(16,17)4-6-19/h8-9H,1-7H2
InChIKeyHFGHRMHGBADWOV-UHFFFAOYSA-N
XLogP2.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
5-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydroisoindol-1-one
CID 154995296
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
(4,4-difluoropiperidin-1-yl)-[4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanone
CID 176677873
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone
CID 142494924
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone
CID 139351307
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
5-[7-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-propylinden-1-one
CID 166886553
4-[6-(4,4-difluoropiperidine-1-carbonyl)triazolo[4,5-b]pyridin-3-yl]benzoic acid
CID 156811179
5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
CID 154995043
(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone (CID 172632426) is (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone is C=C1CCOc2cc(C(=O)N3CCC(F)(F)CC3)cnc21.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone?
The InChIKey is HFGHRMHGBADWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-10-2-7-21-12-8-11(9-18-13(10)12)14(20)19-5-3-15(16,17)4-6-19/h8-9H,1-7H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone has a molecular weight of 294.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone is sourced from PubChem (CID 172632426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).