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

C18H36N4O2 — CID 170371299

IUPAC2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)OCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N4O2/c1-16(2)21-9-11-22(12-10-21)18(23)15-20-7-5-19(6-8-20)13-14-24-17(3)4/h16-17H,5-15H2,1-4H3
InChIKeyGYQVHUQNMJDPHF-UHFFFAOYSA-N
MW340.51 g/mol
LogP0.58
Rot. Bonds7

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

2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 170371299) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID170371299
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)OCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N4O2/c1-16(2)21-9-11-22(12-10-21)18(23)15-20-7-5-19(6-8-20)13-14-24-17(3)4/h16-17H,5-15H2,1-4H3
InChIKeyGYQVHUQNMJDPHF-UHFFFAOYSA-N
XLogP0.58
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
3-amino-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119891709
1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 170569689
2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 167479955
2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 95388910
4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
CID 177321623
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122
N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
CID 86923511
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
CID 177321622

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 170371299) is 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)OCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is GYQVHUQNMJDPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-16(2)21-9-11-22(12-10-21)18(23)15-20-7-5-19(6-8-20)13-14-24-17(3)4/h16-17H,5-15H2,1-4H3.
What are the key properties of 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 340.51 g/mol, XLogP of 0.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170371299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).