1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one

C13H27N3O — CID 109012745

IUPAC1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one
SMILESCCN1CCN(C(=O)CCNCC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-15-7-9-16(10-8-15)13(17)5-6-14-11-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyCQQNEGCPEKBVSU-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one

1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one (PubChem CID 109012745) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one
PubChem CID109012745
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one
SMILESCCN1CCN(C(=O)CCNCC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-4-15-7-9-16(10-8-15)13(17)5-6-14-11-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyCQQNEGCPEKBVSU-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)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

1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012792
3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203515
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012790
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109014810
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017526
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione
CID 178063204
1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 109017464

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one (CID 109012745) is 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one is CCN1CCN(C(=O)CCNCC(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one?
The InChIKey is CQQNEGCPEKBVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-15-7-9-16(10-8-15)13(17)5-6-14-11-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one has a molecular weight of 241.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one is sourced from PubChem (CID 109012745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).