8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C22H29N3O3 — CID 139005270

IUPAC8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC1(C(=O)N2CCC3(CC2)CNC(=O)C3)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H29N3O3/c1-21(8-5-11-25(16-21)19(27)17-6-3-2-4-7-17)20(28)24-12-9-22(10-13-24)14-18(26)23-15-22/h2-4,6-7H,5,8-16H2,1H3,(H,23,26)
InChIKeyOJQYWYYUQVCRGE-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.06
Rot. Bonds2

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

8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 139005270) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID139005270
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC1(C(=O)N2CCC3(CC2)CNC(=O)C3)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H29N3O3/c1-21(8-5-11-25(16-21)19(27)17-6-3-2-4-7-17)20(28)24-12-9-22(10-13-24)14-18(26)23-15-22/h2-4,6-7H,5,8-16H2,1H3,(H,23,26)
InChIKeyOJQYWYYUQVCRGE-UHFFFAOYSA-N
XLogP2.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355365
[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methylpiperidin-1-yl]-phenylmethanone
CID 120819831
(3R,4R)-1-(1-benzoyl-3-methylpiperidine-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979794
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
CID 111539458
[3-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-phenylmethanone;hydrochloride
CID 119397317
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
2-[2-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185511
1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119452421
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 139005270) is 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CC1(C(=O)N2CCC3(CC2)CNC(=O)C3)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OJQYWYYUQVCRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-21(8-5-11-25(16-21)19(27)17-6-3-2-4-7-17)20(28)24-12-9-22(10-13-24)14-18(26)23-15-22/h2-4,6-7H,5,8-16H2,1H3,(H,23,26).
What are the key properties of 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 383.49 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 139005270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).