1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one

C20H26N2O3 — CID 97397082

IUPAC1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C([C@H]1CCCO1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O3/c23-18-8-9-20(22(18)15-16-5-2-1-3-6-16)10-12-21(13-11-20)19(24)17-7-4-14-25-17/h1-3,5-6,17H,4,7-15H2/t17-/m1/s1
InChIKeySFQYIQRNWXEWIM-QGZVFWFLSA-N
MW342.44 g/mol
LogP2.35
Rot. Bonds3

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

1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97397082) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97397082
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C([C@H]1CCCO1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O3/c23-18-8-9-20(22(18)15-16-5-2-1-3-6-16)10-12-21(13-11-20)19(24)17-7-4-14-25-17/h1-3,5-6,17H,4,7-15H2/t17-/m1/s1
InChIKeySFQYIQRNWXEWIM-QGZVFWFLSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97393244
(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97473214
2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72856189
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
1-benzyl-8-[2-(cyclohexen-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 26344303
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97397082) is 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one is O=C([C@H]1CCCO1)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SFQYIQRNWXEWIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18-8-9-20(22(18)15-16-5-2-1-3-6-16)10-12-21(13-11-20)19(24)17-7-4-14-25-17/h1-3,5-6,17H,4,7-15H2/t17-/m1/s1.
What are the key properties of 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).