3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide

C11H24N4O — CID 62325479

IUPAC3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCN(CCN)CC1
InChIInChI=1S/C11H24N4O/c1-2-13-11(16)3-5-14-7-9-15(6-4-12)10-8-14/h2-10,12H2,1H3,(H,13,16)
InChIKeyIWPSNUMHYQSAEE-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.91
Rot. Bonds6

About 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide

3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide (PubChem CID 62325479) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
PubChem CID62325479
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCN(CCN)CC1
InChIInChI=1S/C11H24N4O/c1-2-13-11(16)3-5-14-7-9-15(6-4-12)10-8-14/h2-10,12H2,1H3,(H,13,16)
InChIKeyIWPSNUMHYQSAEE-UHFFFAOYSA-N
XLogP-0.91
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide 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

3-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-ethylpropanamide
CID 63336433
3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide
CID 55061438
N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
CID 122170238
3-(1,4-diazepan-1-yl)-N-ethylpropanamide
CID 62324150
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
CID 112726882
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107408256
3-(4-amino-3-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79868702
3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
CID 109011336
2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane
CID 177054296
ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide (CID 62325479) is 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide is CCNC(=O)CCN1CCN(CCN)CC1.
What is the InChIKey of 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide?
The InChIKey is IWPSNUMHYQSAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-2-13-11(16)3-5-14-7-9-15(6-4-12)10-8-14/h2-10,12H2,1H3,(H,13,16).
What are the key properties of 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide?
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of -0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 62325479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).