[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

C24H26N4O2 — CID 164638524

IUPAC[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H]2c1ncco1
InChIInChI=1S/C24H26N4O2/c29-23(20-7-4-10-25-15-20)28-12-8-24(9-13-28)18-27(16-19-5-2-1-3-6-19)17-21(24)22-26-11-14-30-22/h1-7,10-11,14-15,21H,8-9,12-13,16-18H2/t21-/m1/s1
InChIKeyAKDCYTVSSUOVHL-OAQYLSRUSA-N
MW402.50 g/mol
LogP3.59
Rot. Bonds4

About [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (PubChem CID 164638524) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
PubChem CID164638524
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H]2c1ncco1
InChIInChI=1S/C24H26N4O2/c29-23(20-7-4-10-25-15-20)28-12-8-24(9-13-28)18-27(16-19-5-2-1-3-6-19)17-21(24)22-26-11-14-30-22/h1-7,10-11,14-15,21H,8-9,12-13,16-18H2/t21-/m1/s1
InChIKeyAKDCYTVSSUOVHL-OAQYLSRUSA-N
XLogP3.59
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
CID 164629827
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 91924984
[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97370057
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
[(6S)-4-benzyl-6-hydroxy-6-(pyrazol-1-ylmethyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 95814738
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-pyridin-3-ylmethanone
CID 97472755
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 24730509
(3aS,6aR)-2-methyl-1'-(pyridine-3-carbonyl)-5-(pyridin-3-ylmethyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 155901515
[(4aR,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-3-ylmethanone
CID 98793062

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (CID 164638524) is [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H]2c1ncco1.
What is the InChIKey of [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The InChIKey is AKDCYTVSSUOVHL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23(20-7-4-10-25-15-20)28-12-8-24(9-13-28)18-27(16-19-5-2-1-3-6-19)17-21(24)22-26-11-14-30-22/h1-7,10-11,14-15,21H,8-9,12-13,16-18H2/t21-/m1/s1.
What are the key properties of [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
[(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone has a molecular weight of 402.50 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-benzyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 164638524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).