3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one

C19H33N3O2 — CID 143778819

IUPAC3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one
SMILESCC(=O)N1CCC(C)(N2CCC3(CCN(C)C(=O)C3C)CC2)CC1
InChIInChI=1S/C19H33N3O2/c1-15-17(24)20(4)10-7-19(15)8-13-22(14-9-19)18(3)5-11-21(12-6-18)16(2)23/h15H,5-14H2,1-4H3
InChIKeyDYIFMBLJQCKZSQ-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.97
Rot. Bonds1

About 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one

3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one (PubChem CID 143778819) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one
PubChem CID143778819
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one
SMILESCC(=O)N1CCC(C)(N2CCC3(CCN(C)C(=O)C3C)CC2)CC1
InChIInChI=1S/C19H33N3O2/c1-15-17(24)20(4)10-7-19(15)8-13-22(14-9-19)18(3)5-11-21(12-6-18)16(2)23/h15H,5-14H2,1-4H3
InChIKeyDYIFMBLJQCKZSQ-UHFFFAOYSA-N
XLogP1.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(Piperidine-1-carbonyl)-[1,4'-bipiperidin]-1'-YL]pentan-1-one
CID 42693384
1-[9-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylbutan-1-one
CID 176558596
N,N-Dimethyl-1-azabicyclo(2.2.2)octane-3-carboxamide
CID 129791123
6,6,8,8-Tetramethylquinuclidin-2-one
CID 602313
1-(9-Ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpentan-1-one
CID 20622554
2-(1-Acetylpiperidin-4-yl)-1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)ethanone
CID 20794443
3-Methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 21053660
(4-Methyl-piperazin-1-yl)-[6-(1-methyl-piperidin-4-yl)-6-aza-spiro[2.5]oct-1-yl]-methanone
CID 25118122
1-(4-Piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone
CID 58584549
4-Methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one
CID 91075674
1-[3-Methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one
CID 91532737
(3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one
CID 126710705

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one?
The IUPAC name of 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one (CID 143778819) is 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one.
What is the SMILES notation for 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one?
The canonical SMILES for 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one is CC(=O)N1CCC(C)(N2CCC3(CCN(C)C(=O)C3C)CC2)CC1.
What is the InChIKey of 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one?
The InChIKey is DYIFMBLJQCKZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15-17(24)20(4)10-7-19(15)8-13-22(14-9-19)18(3)5-11-21(12-6-18)16(2)23/h15H,5-14H2,1-4H3.
What are the key properties of 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one?
3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one has a molecular weight of 335.49 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one is sourced from PubChem (CID 143778819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).