2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C18H25F2N3O — CID 169264402

IUPAC2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC1CN(c2nc3c(cc2C(N)=O)CCCCCC3)CCC1(F)F
InChIInChI=1S/C18H25F2N3O/c1-12-11-23(9-8-18(12,19)20)17-14(16(21)24)10-13-6-4-2-3-5-7-15(13)22-17/h10,12H,2-9,11H2,1H3,(H2,21,24)
InChIKeySOWZMLLKAFEJGT-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.32
Rot. Bonds2

About 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 169264402) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID169264402
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC1CN(c2nc3c(cc2C(N)=O)CCCCCC3)CCC1(F)F
InChIInChI=1S/C18H25F2N3O/c1-12-11-23(9-8-18(12,19)20)17-14(16(21)24)10-13-6-4-2-3-5-7-15(13)22-17/h10,12H,2-9,11H2,1H3,(H2,21,24)
InChIKeySOWZMLLKAFEJGT-UHFFFAOYSA-N
XLogP3.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264214
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 153490298
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66212034
2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62703000
2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95881220
2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885523
2-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885525
2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 156603375
2-(1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70715684
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115562370
2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97114677
2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70710101

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 169264402) is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC1CN(c2nc3c(cc2C(N)=O)CCCCCC3)CCC1(F)F.
What is the InChIKey of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is SOWZMLLKAFEJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c1-12-11-23(9-8-18(12,19)20)17-14(16(21)24)10-13-6-4-2-3-5-7-15(13)22-17/h10,12H,2-9,11H2,1H3,(H2,21,24).
What are the key properties of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 169264402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).