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

C21H24N2O3 — CID 97493907

IUPAC1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1occc1C(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-16-18(8-14-26-16)20(25)22-12-10-21(11-13-22)9-7-19(24)23(21)15-17-5-3-2-4-6-17/h2-6,8,14H,7,9-13,15H2,1H3
InChIKeyWRQPZNZLWLQEQS-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.39
Rot. Bonds3

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

1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493907) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493907
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1occc1C(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-16-18(8-14-26-16)20(25)22-12-10-21(11-13-22)9-7-19(24)23(21)15-17-5-3-2-4-6-17/h2-6,8,14H,7,9-13,15H2,1H3
InChIKeyWRQPZNZLWLQEQS-UHFFFAOYSA-N
XLogP3.39
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1-benzyl-8-[2-(cyclohexen-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 26344303
(5S)-6-acetyl-2-(2-methylfuran-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373416
8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074647
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1-benzyl-8-(2-hydroxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155862188

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493907) is 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1occc1C(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WRQPZNZLWLQEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-18(8-14-26-16)20(25)22-12-10-21(11-13-22)9-7-19(24)23(21)15-17-5-3-2-4-6-17/h2-6,8,14H,7,9-13,15H2,1H3.
What are the key properties of 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).