3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H24N4O4 — CID 97275577

IUPAC3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)OC1=O
InChIInChI=1S/C19H24N4O4/c1-21-13-19(27-18(21)26)5-8-22(9-6-19)17(25)14-10-16(24)23(11-14)12-15-4-2-3-7-20-15/h2-4,7,14H,5-6,8-13H2,1H3/t14-/m1/s1
InChIKeyCNURBYKUJKFIJJ-CQSZACIVSA-N
MW372.43 g/mol
LogP0.87
Rot. Bonds3

About 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 97275577) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID97275577
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)OC1=O
InChIInChI=1S/C19H24N4O4/c1-21-13-19(27-18(21)26)5-8-22(9-6-19)17(25)14-10-16(24)23(11-14)12-15-4-2-3-7-20-15/h2-4,7,14H,5-6,8-13H2,1H3/t14-/m1/s1
InChIKeyCNURBYKUJKFIJJ-CQSZACIVSA-N
XLogP0.87
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 94149560
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683
1-butyl-4-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperazin-2-one
CID 97207249
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
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4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
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CID 97275458
(4R)-1-(pyridin-2-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 96783398
(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
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4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 97275577) is 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CNURBYKUJKFIJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-21-13-19(27-18(21)26)5-8-22(9-6-19)17(25)14-10-16(24)23(11-14)12-15-4-2-3-7-20-15/h2-4,7,14H,5-6,8-13H2,1H3/t14-/m1/s1.
What are the key properties of 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 372.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97275577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).