2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one

C18H30N2O2 — CID 177247394

IUPAC2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one
SMILESCC(C)C(=O)C12CC1CN(C(=O)C1CCN(C(C)C)CC1)C2
InChIInChI=1S/C18H30N2O2/c1-12(2)16(21)18-9-15(18)10-20(11-18)17(22)14-5-7-19(8-6-14)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyYKTRTZSCLOXLGJ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.18
Rot. Bonds4

About 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one

2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one (PubChem CID 177247394) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one
PubChem CID177247394
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one
SMILESCC(C)C(=O)C12CC1CN(C(=O)C1CCN(C(C)C)CC1)C2
InChIInChI=1S/C18H30N2O2/c1-12(2)16(21)18-9-15(18)10-20(11-18)17(22)14-5-7-19(8-6-14)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyYKTRTZSCLOXLGJ-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one with MolForge

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Related Compounds

1-[3-(1-tert-butylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]-2,2-dimethylpropan-1-one
CID 170668556
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
CID 177247408
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 131944774
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 176568951
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 160908766
2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 89459187
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one (CID 177247394) is 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one is CC(C)C(=O)C12CC1CN(C(=O)C1CCN(C(C)C)CC1)C2.
What is the InChIKey of 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one?
The InChIKey is YKTRTZSCLOXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-12(2)16(21)18-9-15(18)10-20(11-18)17(22)14-5-7-19(8-6-14)13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one?
2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one has a molecular weight of 306.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1-propan-2-ylpiperidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one is sourced from PubChem (CID 177247394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).