3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one

C15H31N3O — CID 55121642

IUPAC3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one
SMILESCCNC(C)CC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-16-14(4)12-15(19)18-10-8-17(9-11-18)7-6-13(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyNZNWQSGFINAHRL-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.56
Rot. Bonds7

About 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one

3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one (PubChem CID 55121642) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one
PubChem CID55121642
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one
SMILESCCNC(C)CC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-16-14(4)12-15(19)18-10-8-17(9-11-18)7-6-13(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyNZNWQSGFINAHRL-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
3-(ethylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62838357
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 81087569
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one
CID 62837981
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583
[2-[4-(3-methylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 163778051
2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 61265445
2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 112686300

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one (CID 55121642) is 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one is CCNC(C)CC(=O)N1CCN(CCC(C)C)CC1.
What is the InChIKey of 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one?
The InChIKey is NZNWQSGFINAHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-16-14(4)12-15(19)18-10-8-17(9-11-18)7-6-13(2)3/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one?
3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 55121642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).