4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide

C15H24N4O — CID 79153554

IUPAC4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-3-17(4-2)15(20)19-10-8-18(9-11-19)14-7-5-6-13(16)12-14/h5-7,12H,3-4,8-11,16H2,1-2H3
InChIKeyIBOOZENAUHHWDF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.85
Rot. Bonds3

About 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide

4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 79153554) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID79153554
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-3-17(4-2)15(20)19-10-8-18(9-11-19)14-7-5-6-13(16)12-14/h5-7,12H,3-4,8-11,16H2,1-2H3
InChIKeyIBOOZENAUHHWDF-UHFFFAOYSA-N
XLogP1.85
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethylpiperazine-1-carboxamide
CID 110363934
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
CID 43461777
4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 43461730
4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
CID 43461736
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2988792
3-(4-ethyl-1,4-diazepan-1-yl)aniline
CID 22330011
1-[4-(3-aminophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 43461699
4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119718562
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide (CID 79153554) is 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is IBOOZENAUHHWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-17(4-2)15(20)19-10-8-18(9-11-19)14-7-5-6-13(16)12-14/h5-7,12H,3-4,8-11,16H2,1-2H3.
What are the key properties of 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide?
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 79153554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).