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

C18H29ClN4O2 — CID 119445184

IUPAC3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC(=O)N(CCC(=O)NCCN1CCNCC1)Cc1ccccc1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-16(23)22(15-17-5-3-2-4-6-17)11-7-18(24)20-10-14-21-12-8-19-9-13-21;/h2-6,19H,7-15H2,1H3,(H,20,24);1H
InChIKeyNMNXBKUUNMIUOA-UHFFFAOYSA-N
MW368.91 g/mol
LogP0.87
Rot. Bonds8

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

3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119445184) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119445184
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC(=O)N(CCC(=O)NCCN1CCNCC1)Cc1ccccc1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-16(23)22(15-17-5-3-2-4-6-17)11-7-18(24)20-10-14-21-12-8-19-9-13-21;/h2-6,19H,7-15H2,1H3,(H,20,24);1H
InChIKeyNMNXBKUUNMIUOA-UHFFFAOYSA-N
XLogP0.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
CID 108503431
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113119422
3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide
CID 95289837
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
CID 113119612
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119445184) is 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is CC(=O)N(CCC(=O)NCCN1CCNCC1)Cc1ccccc1.Cl.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is NMNXBKUUNMIUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-16(23)22(15-17-5-3-2-4-6-17)11-7-18(24)20-10-14-21-12-8-19-9-13-21;/h2-6,19H,7-15H2,1H3,(H,20,24);1H.
What are the key properties of 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119445184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).