3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

C18H30ClN5O2 — CID 119446987

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C18H29N5O2.ClH/c1-22(15-16-5-3-2-4-6-16)18(25)21-8-7-17(24)20-11-14-23-12-9-19-10-13-23;/h2-6,19H,7-15H2,1H3,(H,20,24)(H,21,25);1H
InChIKeyJNMYBPFCUVITKA-UHFFFAOYSA-N
MW383.92 g/mol
LogP0.66
Rot. Bonds8

About 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119446987) has the molecular formula C18H30ClN5O2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119446987
Molecular FormulaC18H30ClN5O2
Molecular Weight383.92 g/mol
Exact Mass383.21
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C18H29N5O2.ClH/c1-22(15-16-5-3-2-4-6-16)18(25)21-8-7-17(24)20-11-14-23-12-9-19-10-13-23;/h2-6,19H,7-15H2,1H3,(H,20,24)(H,21,25);1H
InChIKeyJNMYBPFCUVITKA-UHFFFAOYSA-N
XLogP0.66
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride 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-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445184
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477
3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451808
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442803
N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
CID 108503431
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
CID 119561837
5-[[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110662
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 56512786
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 56504949

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119446987) is 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is CN(Cc1ccccc1)C(=O)NCCC(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is JNMYBPFCUVITKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.ClH/c1-22(15-16-5-3-2-4-6-16)18(25)21-8-7-17(24)20-11-14-23-12-9-19-10-13-23;/h2-6,19H,7-15H2,1H3,(H,20,24)(H,21,25);1H.
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119446987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).