2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone

C36H68N4O3 — CID 176983354

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
SMILESCC(C)C1CCN(C(=O)CC2CCN(C(C)C)CC2)CC1.CC(C)C1CCN(C(=O)COC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O2.C18H34N2O/c1-14(2)16-5-9-20(10-6-16)18(21)13-22-17-7-11-19(12-8-17)15(3)4;1-14(2)17-7-11-20(12-8-17)18(21)13-16-5-9-19(10-6-16)15(3)4/h14-17H,5-13H2,1-4H3;14-17H,5-13H2,1-4H3
InChIKeyUPGYBGDYMYGZBT-UHFFFAOYSA-N
MW604.97 g/mol
LogP6.16
Rot. Bonds9

About 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone

2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone (PubChem CID 176983354) has the molecular formula C36H68N4O3 and a molecular weight of 604.97 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
PubChem CID176983354
Molecular FormulaC36H68N4O3
Molecular Weight604.97 g/mol
Exact Mass604.53
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
SMILESCC(C)C1CCN(C(=O)CC2CCN(C(C)C)CC2)CC1.CC(C)C1CCN(C(=O)COC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O2.C18H34N2O/c1-14(2)16-5-9-20(10-6-16)18(21)13-22-17-7-11-19(12-8-17)15(3)4;1-14(2)17-7-11-20(12-8-17)18(21)13-16-5-9-19(10-6-16)15(3)4/h14-17H,5-13H2,1-4H3;14-17H,5-13H2,1-4H3
InChIKeyUPGYBGDYMYGZBT-UHFFFAOYSA-N
XLogP6.16
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.97
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone with MolForge

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Launch Full Analysis

Related Compounds

ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010419
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone (CID 176983354) is 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone is CC(C)C1CCN(C(=O)CC2CCN(C(C)C)CC2)CC1.CC(C)C1CCN(C(=O)COC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone?
The InChIKey is UPGYBGDYMYGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2.C18H34N2O/c1-14(2)16-5-9-20(10-6-16)18(21)13-22-17-7-11-19(12-8-17)15(3)4;1-14(2)17-7-11-20(12-8-17)18(21)13-16-5-9-19(10-6-16)15(3)4/h14-17H,5-13H2,1-4H3;14-17H,5-13H2,1-4H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone?
2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone has a molecular weight of 604.97 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone is sourced from PubChem (CID 176983354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).