4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide

C15H24N4O — CID 43461736

IUPAC4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-15(2,3)17-14(20)19-9-7-18(8-10-19)13-6-4-5-12(16)11-13/h4-6,11H,7-10,16H2,1-3H3,(H,17,20)
InChIKeyJGOXLXWGIRKQGB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds1

About 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide

4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide (PubChem CID 43461736) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
PubChem CID43461736
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-15(2,3)17-14(20)19-9-7-18(8-10-19)13-6-4-5-12(16)11-13/h4-6,11H,7-10,16H2,1-3H3,(H,17,20)
InChIKeyJGOXLXWGIRKQGB-UHFFFAOYSA-N
XLogP1.90
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110405
4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide
CID 114804451
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
N-tert-butyl-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113110457
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139071
N-tert-butyl-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747634

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide (CID 43461736) is 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide?
The InChIKey is JGOXLXWGIRKQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)17-14(20)19-9-7-18(8-10-19)13-6-4-5-12(16)11-13/h4-6,11H,7-10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide?
4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide is sourced from PubChem (CID 43461736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).