[8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone

C20H32N2O2 — CID 131684368

IUPAC[8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CC(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)C3)CC2)C1
InChIInChI=1S/C20H32N2O2/c1-15-12-17(13-15)19(24)22-10-6-20(7-11-22)5-4-16(14-20)18(23)21-8-2-3-9-21/h15-17H,2-14H2,1H3
InChIKeyHXMPDRFCWLMTKC-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.06
Rot. Bonds2

About [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone

[8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131684368) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID131684368
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name[8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CC(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)C3)CC2)C1
InChIInChI=1S/C20H32N2O2/c1-15-12-17(13-15)19(24)22-10-6-20(7-11-22)5-4-16(14-20)18(23)21-8-2-3-9-21/h15-17H,2-14H2,1H3
InChIKeyHXMPDRFCWLMTKC-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
CID 168882358
(7-methyl-7-azaspiro[3.5]nonan-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 169257517
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
CID 145047717
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
CID 170373750
(7-methyl-7-azaspiro[3.5]nonan-2-yl)-(3-methylazetidin-1-yl)methanone
CID 176954071
2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155871416
(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 155871707
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90973714
[(3aS,7aR)-2-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylcyclobutyl)methanone
CID 131683443

Frequently Asked Questions

What is the IUPAC name of [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone (CID 131684368) is [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone is CC1CC(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)C3)CC2)C1.
What is the InChIKey of [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HXMPDRFCWLMTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15-12-17(13-15)19(24)22-10-6-20(7-11-22)5-4-16(14-20)18(23)21-8-2-3-9-21/h15-17H,2-14H2,1H3.
What are the key properties of [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone?
[8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 332.49 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131684368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).