2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride

C22H32Cl2N4O — CID 119446477

IUPAC2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN(Cc1ccccc1)Cc1ccccc1)NCCN1CCNCC1
InChIInChI=1S/C22H30N4O.2ClH/c27-22(24-13-16-25-14-11-23-12-15-25)19-26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21;;/h1-10,23H,11-19H2,(H,24,27);2*1H
InChIKeyPVWPHDZLIKXKJY-UHFFFAOYSA-N
MW439.43 g/mol
LogP2.55
Rot. Bonds9

About 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride

2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride (PubChem CID 119446477) has the molecular formula C22H32Cl2N4O and a molecular weight of 439.43 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
PubChem CID119446477
Molecular FormulaC22H32Cl2N4O
Molecular Weight439.43 g/mol
Exact Mass438.20
IUPAC Name2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN(Cc1ccccc1)Cc1ccccc1)NCCN1CCNCC1
InChIInChI=1S/C22H30N4O.2ClH/c27-22(24-13-16-25-14-11-23-12-15-25)19-26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21;;/h1-10,23H,11-19H2,(H,24,27);2*1H
InChIKeyPVWPHDZLIKXKJY-UHFFFAOYSA-N
XLogP2.55
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.55
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
3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445184
N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
CID 108503431
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394011
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride (CID 119446477) is 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride is Cl.Cl.O=C(CN(Cc1ccccc1)Cc1ccccc1)NCCN1CCNCC1.
What is the InChIKey of 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride?
The InChIKey is PVWPHDZLIKXKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O.2ClH/c27-22(24-13-16-25-14-11-23-12-15-25)19-26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21;;/h1-10,23H,11-19H2,(H,24,27);2*1H.
What are the key properties of 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride?
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride has a molecular weight of 439.43 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119446477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).