(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one

C20H23N3O3 — CID 98896931

IUPAC(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(c1ccoc1)N1CCC[C@@]2(CC1)CCN(Cc1cccnc1)C2=O
InChIInChI=1S/C20H23N3O3/c24-18(17-4-12-26-15-17)22-9-2-5-20(6-10-22)7-11-23(19(20)25)14-16-3-1-8-21-13-16/h1,3-4,8,12-13,15H,2,5-7,9-11,14H2/t20-/m1/s1
InChIKeyOCUCAHMRIJVAQL-HXUWFJFHSA-N
MW353.42 g/mol
LogP2.72
Rot. Bonds3

About (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one

(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 98896931) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID98896931
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(c1ccoc1)N1CCC[C@@]2(CC1)CCN(Cc1cccnc1)C2=O
InChIInChI=1S/C20H23N3O3/c24-18(17-4-12-26-15-17)22-9-2-5-20(6-10-22)7-11-23(19(20)25)14-16-3-1-8-21-13-16/h1,3-4,8,12-13,15H,2,5-7,9-11,14H2/t20-/m1/s1
InChIKeyOCUCAHMRIJVAQL-HXUWFJFHSA-N
XLogP2.72
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45233209
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490135
(5R)-9-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896827
(5R)-9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490097
9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131645726
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371896
7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45243127
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897491
furan-3-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849489
(5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372094
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 98896931) is (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one is O=C(c1ccoc1)N1CCC[C@@]2(CC1)CCN(Cc1cccnc1)C2=O.
What is the InChIKey of (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is OCUCAHMRIJVAQL-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18(17-4-12-26-15-17)22-9-2-5-20(6-10-22)7-11-23(19(20)25)14-16-3-1-8-21-13-16/h1,3-4,8,12-13,15H,2,5-7,9-11,14H2/t20-/m1/s1.
What are the key properties of (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 353.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 98896931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).