8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H22N2O3 — CID 134074647

IUPAC8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1occc1C(=O)N1CCC2(CC1)NC(=O)CC2c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-14-16(7-12-25-14)19(24)22-10-8-20(9-11-22)17(13-18(23)21-20)15-5-3-2-4-6-15/h2-7,12,17H,8-11,13H2,1H3,(H,21,23)
InChIKeyIPPINAPOQFTVHT-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.87
Rot. Bonds2

About 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 134074647) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID134074647
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1occc1C(=O)N1CCC2(CC1)NC(=O)CC2c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-14-16(7-12-25-14)19(24)22-10-8-20(9-11-22)17(13-18(23)21-20)15-5-3-2-4-6-15/h2-7,12,17H,8-11,13H2,1H3,(H,21,23)
InChIKeyIPPINAPOQFTVHT-UHFFFAOYSA-N
XLogP2.87
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469703
8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131648127
4-phenyl-8-(pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155844440
8-(4-methylbenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070711
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131657887
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469671
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118739746

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 134074647) is 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1occc1C(=O)N1CCC2(CC1)NC(=O)CC2c1ccccc1.
What is the InChIKey of 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IPPINAPOQFTVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-16(7-12-25-14)19(24)22-10-8-20(9-11-22)17(13-18(23)21-20)15-5-3-2-4-6-15/h2-7,12,17H,8-11,13H2,1H3,(H,21,23).
What are the key properties of 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134074647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).