N-(4-nitrophenyl)piperazine-1-carboxamide

C11H14N4O3 — CID 22614387

IUPACN-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCNCC1
InChIInChI=1S/C11H14N4O3/c16-11(14-7-5-12-6-8-14)13-9-1-3-10(4-2-9)15(17)18/h1-4,12H,5-8H2,(H,13,16)
InChIKeyNDBPPCBRJMFFID-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.03
Rot. Bonds2

About N-(4-nitrophenyl)piperazine-1-carboxamide

N-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 22614387) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID22614387
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCNCC1
InChIInChI=1S/C11H14N4O3/c16-11(14-7-5-12-6-8-14)13-9-1-3-10(4-2-9)15(17)18/h1-4,12H,5-8H2,(H,13,16)
InChIKeyNDBPPCBRJMFFID-UHFFFAOYSA-N
XLogP1.03
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 60706130
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 60958056
N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 4991386
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide
CID 23875488
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
CID 95481288
N-(4-fluorophenyl)-4-[2-(4-nitrophenyl)sulfanylacetyl]piperazine-1-carboxamide
CID 37444746
(1R,7R)-7-methyl-N-(4-nitrophenyl)-1-oxo-1,4-thiazepane-4-carboxamide
CID 124844078
4-cyclohexyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide
CID 7346790
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501
4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134049478

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-nitrophenyl)piperazine-1-carboxamide (CID 22614387) is N-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)piperazine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCNCC1.
What is the InChIKey of N-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is NDBPPCBRJMFFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-11(14-7-5-12-6-8-14)13-9-1-3-10(4-2-9)15(17)18/h1-4,12H,5-8H2,(H,13,16).
What are the key properties of N-(4-nitrophenyl)piperazine-1-carboxamide?
N-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 22614387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).