3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one

C15H27N3O3 — CID 62837418

IUPAC3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCNC(C)CC(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H27N3O3/c1-3-16-12(2)11-14(19)17-6-8-18(9-7-17)15(20)13-5-4-10-21-13/h12-13,16H,3-11H2,1-2H3
InChIKeyNSMRWEYXFVJQLB-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.22
Rot. Bonds5

About 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one

3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 62837418) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID62837418
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCNC(C)CC(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H27N3O3/c1-3-16-12(2)11-14(19)17-6-8-18(9-7-17)15(20)13-5-4-10-21-13/h12-13,16H,3-11H2,1-2H3
InChIKeyNSMRWEYXFVJQLB-UHFFFAOYSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 60937548
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120586927
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 79195456
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
methyl 4-oxo-4-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butanoate
CID 110797511
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 110807177
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one (CID 62837418) is 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one is CCNC(C)CC(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is NSMRWEYXFVJQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-16-12(2)11-14(19)17-6-8-18(9-7-17)15(20)13-5-4-10-21-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one?
3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 297.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 62837418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).