2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

C15H30N4O — CID 120773723

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCC(C)(CN)C2)CC1
InChIInChI=1S/C15H30N4O/c1-4-17-7-9-18(10-8-17)14(20)13(2)19-6-5-15(3,11-16)12-19/h13H,4-12,16H2,1-3H3
InChIKeyASJXUPBMOUCESS-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.21
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 120773723) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID120773723
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCC(C)(CN)C2)CC1
InChIInChI=1S/C15H30N4O/c1-4-17-7-9-18(10-8-17)14(20)13(2)19-6-5-15(3,11-16)12-19/h13H,4-12,16H2,1-3H3
InChIKeyASJXUPBMOUCESS-UHFFFAOYSA-N
XLogP0.21
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 120771899
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
CID 111489679
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
CID 107159961
1-(azepan-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 113249921
1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119903931
(2S)-2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 7986281
2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 5149334

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 120773723) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)C(C)N2CCC(C)(CN)C2)CC1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is ASJXUPBMOUCESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-4-17-7-9-18(10-8-17)14(20)13(2)19-6-5-15(3,11-16)12-19/h13H,4-12,16H2,1-3H3.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 120773723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).