1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one

C20H34N2O2 — CID 170668556

IUPAC1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C12CC1CN(C(=O)C1CCN(C(C)(C)C)CC1)C2
InChIInChI=1S/C20H34N2O2/c1-18(2,3)17(24)20-11-15(20)12-21(13-20)16(23)14-7-9-22(10-8-14)19(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyATDOGJBHCREFHA-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.96
Rot. Bonds2

About 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one

1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 170668556) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one
PubChem CID170668556
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C12CC1CN(C(=O)C1CCN(C(C)(C)C)CC1)C2
InChIInChI=1S/C20H34N2O2/c1-18(2,3)17(24)20-11-15(20)12-21(13-20)16(23)14-7-9-22(10-8-14)19(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyATDOGJBHCREFHA-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[1-(1-tert-butylpiperidine-4-carbonyl)-5,5-dimethylpiperidin-3-yl]-2,2-dimethylpropan-1-one
CID 170668473
1-[6-(1-tert-butylpiperidine-4-carbonyl)-6-azaspiro[3.5]nonan-8-yl]-2,2-dimethylpropan-1-one
CID 170668457
2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one
CID 177247394
(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611
1-[1-(1-tert-butylpiperidine-4-carbonyl)piperidin-4-yl]-3,3-dimethylbutan-2-one
CID 170668413
(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone
CID 171429799
(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
1-[4-[[4-(1-tert-butylpiperidine-4-carbonyl)piperazin-1-yl]methyl]phenyl]-2,2-dimethylpropan-1-one
CID 170668393
(1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 167994280
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 97291630
(3aS,6aR)-2-(cycloheptanecarbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683762
1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 27262291

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one (CID 170668556) is 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C12CC1CN(C(=O)C1CCN(C(C)(C)C)CC1)C2.
What is the InChIKey of 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ATDOGJBHCREFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-18(2,3)17(24)20-11-15(20)12-21(13-20)16(23)14-7-9-22(10-8-14)19(4,5)6/h14-15H,7-13H2,1-6H3.
What are the key properties of 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 334.50 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 170668556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).