1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C23H27N3O4 — CID 42472580

IUPAC1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c(OC)n1
InChIInChI=1S/C23H27N3O4/c1-29-19-9-8-18(21(24-19)30-2)22(28)25-14-12-23(13-15-25)11-10-20(27)26(23)16-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3
InChIKeyQRXNJDPCIBUHDX-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.90
Rot. Bonds5

About 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 42472580) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID42472580
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c(OC)n1
InChIInChI=1S/C23H27N3O4/c1-29-19-9-8-18(21(24-19)30-2)22(28)25-14-12-23(13-15-25)11-10-20(27)26(23)16-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3
InChIKeyQRXNJDPCIBUHDX-UHFFFAOYSA-N
XLogP2.90
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831
8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131685000
1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 24956134
(3R,4S)-3-benzyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-hydroxypiperidine-3-carboxylic acid
CID 164699824
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 25459630
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 42472580) is 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is COc1ccc(C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c(OC)n1.
What is the InChIKey of 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QRXNJDPCIBUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-29-19-9-8-18(21(24-19)30-2)22(28)25-14-12-23(13-15-25)11-10-20(27)26(23)16-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3.
What are the key properties of 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 409.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 42472580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).