8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H37N3O3 — CID 72874000

IUPAC8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(=O)N1CCC(C(=O)N2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)CC1
InChIInChI=1S/C22H37N3O3/c1-17(2)6-12-24-15-22(10-5-20(24)27)9-4-11-25(16-22)21(28)19-7-13-23(14-8-19)18(3)26/h17,19H,4-16H2,1-3H3
InChIKeyZPJVIDMBFMTLJR-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.52
Rot. Bonds4

About 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72874000) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72874000
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(=O)N1CCC(C(=O)N2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)CC1
InChIInChI=1S/C22H37N3O3/c1-17(2)6-12-24-15-22(10-5-20(24)27)9-4-11-25(16-22)21(28)19-7-13-23(14-8-19)18(3)26/h17,19H,4-16H2,1-3H3
InChIKeyZPJVIDMBFMTLJR-UHFFFAOYSA-N
XLogP2.52
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840
methyl 2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 72863193
(6S)-8-[2-(4-ethylpiperazin-1-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97278959
8-[4-(hydroxymethyl)benzoyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70720356
8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712179
8-(3-hydroxypyridine-2-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775506
2-[(6R)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122741
2-[(6S)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122740
(6R)-8-[2-(N-methylanilino)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97286005
2-(3-methylbutyl)-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712494
8-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70746303
(6R)-8-[1-(difluoromethyl)pyrazole-3-carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97129346

Frequently Asked Questions

What is the IUPAC name of 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72874000) is 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(=O)N1CCC(C(=O)N2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)CC1.
What is the InChIKey of 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZPJVIDMBFMTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-17(2)6-12-24-15-22(10-5-20(24)27)9-4-11-25(16-22)21(28)19-7-13-23(14-8-19)18(3)26/h17,19H,4-16H2,1-3H3.
What are the key properties of 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 391.56 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72874000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).