2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone

C19H34N2O — CID 155880003

IUPAC2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)N1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C19H34N2O/c1-16(2)20-13-9-19(10-14-20)7-5-17(6-8-19)15-18(22)21-11-3-4-12-21/h16-17H,3-15H2,1-2H3
InChIKeyLPGQOGBUSQFTNF-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.68
Rot. Bonds3

About 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone

2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 155880003) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
PubChem CID155880003
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)N1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C19H34N2O/c1-16(2)20-13-9-19(10-14-20)7-5-17(6-8-19)15-18(22)21-11-3-4-12-21/h16-17H,3-15H2,1-2H3
InChIKeyLPGQOGBUSQFTNF-UHFFFAOYSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155871416
2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155872635
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010419
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
CID 170373750
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 62781702
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
CID 102852261
2-[3-[(1-methylimidazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 97451310
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone (CID 155880003) is 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone is CC(C)N1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is LPGQOGBUSQFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-16(2)20-13-9-19(10-14-20)7-5-17(6-8-19)15-18(22)21-11-3-4-12-21/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone?
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 306.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 155880003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).