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

C15H24N4O — CID 43461735

IUPAC4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-2-3-7-17-15(20)19-10-8-18(9-11-19)14-6-4-5-13(16)12-14/h4-6,12H,2-3,7-11,16H2,1H3,(H,17,20)
InChIKeyPKYAQHXXLBIDTK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds4

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

4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide (PubChem CID 43461735) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
PubChem CID43461735
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-2-3-7-17-15(20)19-10-8-18(9-11-19)14-6-4-5-13(16)12-14/h4-6,12H,2-3,7-11,16H2,1H3,(H,17,20)
InChIKeyPKYAQHXXLBIDTK-UHFFFAOYSA-N
XLogP1.90
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
N-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide
CID 113103928
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
CID 43461736
N-butylaziridine-1-carboxamide
CID 55206947
N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 127565527

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide (CID 43461735) is 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide?
The InChIKey is PKYAQHXXLBIDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-3-7-17-15(20)19-10-8-18(9-11-19)14-6-4-5-13(16)12-14/h4-6,12H,2-3,7-11,16H2,1H3,(H,17,20).
What are the key properties of 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide?
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide is sourced from PubChem (CID 43461735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).