2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone

C11H22N2O2 — CID 60708281

IUPAC2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)COCC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-5-12-6-8-13(9-7-12)11(14)10-15-4-2/h3-10H2,1-2H3
InChIKeyKJBDPVODELTJIF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds5

About 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone

2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 60708281) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
PubChem CID60708281
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)COCC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-5-12-6-8-13(9-7-12)11(14)10-15-4-2/h3-10H2,1-2H3
InChIKeyKJBDPVODELTJIF-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
CID 119104737
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
CID 60712478
2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone
CID 79463496
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 63394368
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 43251389
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
CID 166466914
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone (CID 60708281) is 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(=O)COCC)CC1.
What is the InChIKey of 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is KJBDPVODELTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-12-6-8-13(9-7-12)11(14)10-15-4-2/h3-10H2,1-2H3.
What are the key properties of 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone?
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 60708281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).