(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H26F2N4O2 — CID 96578486

IUPAC(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1C[C@@]2(CCCN(C(=O)c3ncc(F)cc3F)C2)CCC1=O
InChIInChI=1S/C19H26F2N4O2/c1-23(2)8-9-24-12-19(6-4-16(24)26)5-3-7-25(13-19)18(27)17-15(21)10-14(20)11-22-17/h10-11H,3-9,12-13H2,1-2H3/t19-/m1/s1
InChIKeyRQGVOKBAQVFBKC-LJQANCHMSA-N
MW380.44 g/mol
LogP1.77
Rot. Bonds4

About (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96578486) has the molecular formula C19H26F2N4O2 and a molecular weight of 380.44 g/mol. Its IUPAC name is (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96578486
Molecular FormulaC19H26F2N4O2
Molecular Weight380.44 g/mol
Exact Mass380.20
IUPAC Name(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1C[C@@]2(CCCN(C(=O)c3ncc(F)cc3F)C2)CCC1=O
InChIInChI=1S/C19H26F2N4O2/c1-23(2)8-9-24-12-19(6-4-16(24)26)5-3-7-25(13-19)18(27)17-15(21)10-14(20)11-22-17/h10-11H,3-9,12-13H2,1-2H3/t19-/m1/s1
InChIKeyRQGVOKBAQVFBKC-LJQANCHMSA-N
XLogP1.77
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896292
8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744129
2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724925
9-(3,5-difluoropyridine-2-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97147321
(6S)-8-[2-[2-(dimethylamino)ethyl]-5-methylpyrazole-3-carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95873836
(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95869000
(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872441
2-[2-(dimethylamino)ethyl]-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742722
2-[2-(dimethylamino)ethyl]-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715455
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
2-[2-(dimethylamino)ethyl]-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70782576
8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712179

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 96578486) is (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is CN(C)CCN1C[C@@]2(CCCN(C(=O)c3ncc(F)cc3F)C2)CCC1=O.
What is the InChIKey of (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is RQGVOKBAQVFBKC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26F2N4O2/c1-23(2)8-9-24-12-19(6-4-16(24)26)5-3-7-25(13-19)18(27)17-15(21)10-14(20)11-22-17/h10-11H,3-9,12-13H2,1-2H3/t19-/m1/s1.
What are the key properties of (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96578486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).