1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one

C23H31N3O3 — CID 162637207

IUPAC1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(=O)N1CCC(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)CC1
InChIInChI=1S/C23H31N3O3/c1-18(27)24-15-9-20(10-16-24)21(28)26-14-6-12-23(26)11-5-13-25(22(23)29)17-19-7-3-2-4-8-19/h2-4,7-8,20H,5-6,9-17H2,1H3
InChIKeyZCPLLHZBQGFKLH-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.43
Rot. Bonds3

About 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one

1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637207) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637207
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(=O)N1CCC(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)CC1
InChIInChI=1S/C23H31N3O3/c1-18(27)24-15-9-20(10-16-24)21(28)26-14-6-12-23(26)11-5-13-25(22(23)29)17-19-7-3-2-4-8-19/h2-4,7-8,20H,5-6,9-17H2,1H3
InChIKeyZCPLLHZBQGFKLH-UHFFFAOYSA-N
XLogP2.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.43
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
9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635914
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630199
9-benzyl-1-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635128
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059785
(1S,5R)-3-(1-acetylpiperidine-4-carbonyl)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70746571
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 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one (CID 162637207) is 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one is CC(=O)N1CCC(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ZCPLLHZBQGFKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-18(27)24-15-9-20(10-16-24)21(28)26-14-6-12-23(26)11-5-13-25(22(23)29)17-19-7-3-2-4-8-19/h2-4,7-8,20H,5-6,9-17H2,1H3.
What are the key properties of 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one?
1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 397.52 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).