1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one

C11H21N3O — CID 22975654

IUPAC1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one
SMILESCN1CCC2(CC1)CCN(C)C(=O)N2C
InChIInChI=1S/C11H21N3O/c1-12-7-4-11(5-8-12)6-9-13(2)10(15)14(11)3/h4-9H2,1-3H3
InChIKeyFHLFCAGPJQXGHG-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.84
Rot. Bonds

About 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one

1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one (PubChem CID 22975654) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one
PubChem CID22975654
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one
SMILESCN1CCC2(CC1)CCN(C)C(=O)N2C
InChIInChI=1S/C11H21N3O/c1-12-7-4-11(5-8-12)6-9-13(2)10(15)14(11)3/h4-9H2,1-3H3
InChIKeyFHLFCAGPJQXGHG-UHFFFAOYSA-N
XLogP0.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Carbonyldipiperidine
CID 21493
Bis(3-ethylpiperidin-1-yl)methanone
CID 86260418
1-Ethyl-3-(3-piperidin-1-ylpropyl)-1,3-diazinan-2-one
CID 44374064
1-Ethyltetrahydro-3-[3-(4-methyl-1-piperidinyl)propyl]-2(1H)-pyrimidinone
CID 44374261
N,N-diethyl-4-methylpiperidine-1-carboxamide
CID 3566453
ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115517
N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115518
1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115577
1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115878
1-(2,2-difluoroethyl)-4-ethyl-N,N-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202031
1-(2-fluoroethyl)-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090236
N,N,4-trimethylpiperidine-1-carboxamide
CID 20752933

Frequently Asked Questions

What is the IUPAC name of 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one?
The IUPAC name of 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one (CID 22975654) is 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one is CN1CCC2(CC1)CCN(C)C(=O)N2C.
What is the InChIKey of 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one?
The InChIKey is FHLFCAGPJQXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-12-7-4-11(5-8-12)6-9-13(2)10(15)14(11)3/h4-9H2,1-3H3.
What are the key properties of 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one?
1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one has a molecular weight of 211.31 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9-trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 22975654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).