2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C20H40N4O2 — CID 170361677

IUPAC2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)OCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C20H40N4O2/c1-16(2)22-7-9-23(10-8-22)20(25)15-24-18(5)13-21(14-19(24)6)11-12-26-17(3)4/h16-19H,7-15H2,1-6H3
InChIKeyGYOBZXGQDKIQBO-UHFFFAOYSA-N
MW368.57 g/mol
LogP1.36
Rot. Bonds7

About 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 170361677) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID170361677
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)OCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C20H40N4O2/c1-16(2)22-7-9-23(10-8-22)20(25)15-24-18(5)13-21(14-19(24)6)11-12-26-17(3)4/h16-19H,7-15H2,1-6H3
InChIKeyGYOBZXGQDKIQBO-UHFFFAOYSA-N
XLogP1.36
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholinium, 4,4'-(1,4-piperazinediylbis(1-oxopropylene))bis(4-methyl-, diiodide
CID 199521
1-(4-Acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 56802300
2-(2,5-Dimethylmorpholin-4-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 45811018
2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 56799483
3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one
CID 99837364
N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
CID 102562548
2-[4-(2,2-Difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371807
2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170529535
CID 175626905
CID 175626905
2-[4-(2,2-Difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 175635797
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 170361677) is 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)OCCN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1.
What is the InChIKey of 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is GYOBZXGQDKIQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-16(2)22-7-9-23(10-8-22)20(25)15-24-18(5)13-21(14-19(24)6)11-12-26-17(3)4/h16-19H,7-15H2,1-6H3.
What are the key properties of 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 368.57 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170361677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).