9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one

C22H30N2O3 — CID 162635914

IUPAC9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCC1(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)CCC1
InChIInChI=1S/C22H30N2O3/c1-27-17-21(10-5-11-21)19(25)24-15-7-13-22(24)12-6-14-23(20(22)26)16-18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3
InChIKeyBOAVMNFIQKQOHF-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.99
Rot. Bonds5

About 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one

9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635914) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635914
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCC1(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)CCC1
InChIInChI=1S/C22H30N2O3/c1-27-17-21(10-5-11-21)19(25)24-15-7-13-22(24)12-6-14-23(20(22)26)16-18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3
InChIKeyBOAVMNFIQKQOHF-UHFFFAOYSA-N
XLogP2.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162637207
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678
9-benzyl-1-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635128
7-[(4-fluorophenyl)methyl]-2-[1-(methoxymethyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119061583
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630199
(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one
CID 102522516
8-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705402
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162635914) is 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one is COCC1(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)CCC1.
What is the InChIKey of 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is BOAVMNFIQKQOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-27-17-21(10-5-11-21)19(25)24-15-7-13-22(24)12-6-14-23(20(22)26)16-18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3.
What are the key properties of 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one?
9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 370.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).