8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H28FN3O — CID 70746280

IUPAC8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CC2(CCCN(c3ncccc3F)C2)CCC1=O
InChIInChI=1S/C19H28FN3O/c1-15(2)7-12-22-13-19(9-6-17(22)24)8-4-11-23(14-19)18-16(20)5-3-10-21-18/h3,5,10,15H,4,6-9,11-14H2,1-2H3
InChIKeyFUBDLQPBGOYDPP-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.48
Rot. Bonds4

About 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70746280) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70746280
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CC2(CCCN(c3ncccc3F)C2)CCC1=O
InChIInChI=1S/C19H28FN3O/c1-15(2)7-12-22-13-19(9-6-17(22)24)8-4-11-23(14-19)18-16(20)5-3-10-21-18/h3,5,10,15H,4,6-9,11-14H2,1-2H3
InChIKeyFUBDLQPBGOYDPP-UHFFFAOYSA-N
XLogP3.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70785136
8-(3-hydroxypyridine-2-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775506
2-(3-methylbutyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70714987
2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70739709
(6S)-8-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97042051
8-(benzenesulfonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70717072
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866660
8-[2-(2-ethylimidazol-1-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745324
1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840
2-[2-(dimethylamino)ethyl]-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742722
2-[(6S)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122740

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70746280) is 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)CCN1CC2(CCCN(c3ncccc3F)C2)CCC1=O.
What is the InChIKey of 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is FUBDLQPBGOYDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-15(2)7-12-22-13-19(9-6-17(22)24)8-4-11-23(14-19)18-16(20)5-3-10-21-18/h3,5,10,15H,4,6-9,11-14H2,1-2H3.
What are the key properties of 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 333.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70746280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).