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

C17H17FN4O3 — CID 4991386

IUPACN-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H17FN4O3/c18-13-1-3-14(4-2-13)19-17(23)21-11-9-20(10-12-21)15-5-7-16(8-6-15)22(24)25/h1-8H,9-12H2,(H,19,23)
InChIKeyNCEWGERSRCIJFE-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.09
Rot. Bonds3

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

N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 4991386) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID4991386
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H17FN4O3/c18-13-1-3-14(4-2-13)19-17(23)21-11-9-20(10-12-21)15-5-7-16(8-6-15)22(24)25/h1-8H,9-12H2,(H,19,23)
InChIKeyNCEWGERSRCIJFE-UHFFFAOYSA-N
XLogP3.09
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78819250
N-(4-fluorophenyl)-4-[2-(4-nitrophenyl)sulfanylacetyl]piperazine-1-carboxamide
CID 37444746
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 25348923
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27231869
1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one
CID 51210880
N,4-bis(4-nitrophenyl)piperazine-1-carbothioamide
CID 3463932
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
propyl 4-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]benzoate
CID 47040005
4-(4-nitrophenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583638
4-(2-chloro-4-nitrobenzoyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 37443463

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (CID 4991386) is N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is NCEWGERSRCIJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-13-1-3-14(4-2-13)19-17(23)21-11-9-20(10-12-21)15-5-7-16(8-6-15)22(24)25/h1-8H,9-12H2,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4991386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).