1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone

C13H25N3O2 — CID 115714222

IUPAC1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
SMILESCC(NCC(=O)N1CCN(C)CC1)C1CCOC1
InChIInChI=1S/C13H25N3O2/c1-11(12-3-8-18-10-12)14-9-13(17)16-6-4-15(2)5-7-16/h11-12,14H,3-10H2,1-2H3
InChIKeyMWKGFPGVTOZPDR-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.22
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone

1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone (PubChem CID 115714222) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
PubChem CID115714222
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
SMILESCC(NCC(=O)N1CCN(C)CC1)C1CCOC1
InChIInChI=1S/C13H25N3O2/c1-11(12-3-8-18-10-12)14-9-13(17)16-6-4-15(2)5-7-16/h11-12,14H,3-10H2,1-2H3
InChIKeyMWKGFPGVTOZPDR-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115889297
1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone
CID 84598799
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
N-ethyl-2-[1-(oxolan-3-yl)ethylamino]acetamide
CID 115707073
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
CID 99632337
3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 119145626
N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide
CID 104876942
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 115708798
2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791
1-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920670

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone (CID 115714222) is 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone is CC(NCC(=O)N1CCN(C)CC1)C1CCOC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone?
The InChIKey is MWKGFPGVTOZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(12-3-8-18-10-12)14-9-13(17)16-6-4-15(2)5-7-16/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone has a molecular weight of 255.36 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone is sourced from PubChem (CID 115714222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).