(3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C20H23N3O3 — CID 97469578

IUPAC(3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)[C@H](c2cccnc2)CC12CCN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C20H23N3O3/c1-2-23-19(25)17(15-4-3-8-21-13-15)12-20(23)6-9-22(10-7-20)18(24)16-5-11-26-14-16/h3-5,8,11,13-14,17H,2,6-7,9-10,12H2,1H3/t17-/m0/s1
InChIKeySLXPUJLOUAVFMO-KRWDZBQOSA-N
MW353.42 g/mol
LogP2.69
Rot. Bonds3

About (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469578) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469578
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)[C@H](c2cccnc2)CC12CCN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C20H23N3O3/c1-2-23-19(25)17(15-4-3-8-21-13-15)12-20(23)6-9-22(10-7-20)18(24)16-5-11-26-14-16/h3-5,8,11,13-14,17H,2,6-7,9-10,12H2,1H3/t17-/m0/s1
InChIKeySLXPUJLOUAVFMO-KRWDZBQOSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(3R)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469579
1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118739746
(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469570
furan-3-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131644782
(3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469573
1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493701
(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896931
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97370057
furan-3-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849489
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469578) is (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)[C@H](c2cccnc2)CC12CCN(C(=O)c1ccoc1)CC2.
What is the InChIKey of (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SLXPUJLOUAVFMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-23-19(25)17(15-4-3-8-21-13-15)12-20(23)6-9-22(10-7-20)18(24)16-5-11-26-14-16/h3-5,8,11,13-14,17H,2,6-7,9-10,12H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).