4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride

C17H27ClN4O2 — CID 119718562

IUPAC4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-3-19(4-2)17(23)21-11-9-20(10-12-21)16(22)13-14-5-7-15(18)8-6-14;/h5-8H,3-4,9-13,18H2,1-2H3;1H
InChIKeyKYNLJGAAVJTGTI-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.84
Rot. Bonds4

About 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride

4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 119718562) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
PubChem CID119718562
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-3-19(4-2)17(23)21-11-9-20(10-12-21)16(22)13-14-5-7-15(18)8-6-14;/h5-8H,3-4,9-13,18H2,1-2H3;1H
InChIKeyKYNLJGAAVJTGTI-UHFFFAOYSA-N
XLogP1.84
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55721678
2-(4-aminophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60964119
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 119444703
2-(4-aminophenyl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119891661
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
2-(4-aminophenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837247

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride (CID 119718562) is 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl.
What is the InChIKey of 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is KYNLJGAAVJTGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-3-19(4-2)17(23)21-11-9-20(10-12-21)16(22)13-14-5-7-15(18)8-6-14;/h5-8H,3-4,9-13,18H2,1-2H3;1H.
What are the key properties of 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119718562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).