4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide

C17H25N5O3 — CID 58812911

IUPAC4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide
SMILESCN1CCN(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1
InChIInChI=1S/C17H25N5O3/c1-19-9-11-20(12-10-19)15-5-7-21(8-6-15)17(23)18-14-3-2-4-16(13-14)22(24)25/h2-4,13,15H,5-12H2,1H3,(H,18,23)
InChIKeyFTHRTLBNJKGNNV-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.84
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide

4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide (PubChem CID 58812911) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide
PubChem CID58812911
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide
SMILESCN1CCN(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1
InChIInChI=1S/C17H25N5O3/c1-19-9-11-20(12-10-19)15-5-7-21(8-6-15)17(23)18-14-3-2-4-16(13-14)22(24)25/h2-4,13,15H,5-12H2,1H3,(H,18,23)
InChIKeyFTHRTLBNJKGNNV-UHFFFAOYSA-N
XLogP1.84
TPSA81.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-[2-(dimethylamino)ethyl]-N'-(4-nitrophenyl)urea
CID 2954811
N-(4-nitrophenyl)piperidine-1-carboxamide
CID 270383
3-methyl-4-(4-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 2955798
N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide
CID 2984447
1-(4-Nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 3515033
N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide
CID 9464483
N-Cyclooctyl-N'-(3-nitrophenyl)urea
CID 24819106
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-N'-(2-nitrophenyl)urea
CID 16193635
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-nitro-phenyl)-imidazolidin-2-one
CID 10781678
1-(4-Nitrophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783008
N-[2-(4-methylpiperazin-1-yl)ethyl]-N'-(2-nitrophenyl)urea
CID 24761371

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide (CID 58812911) is 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide is CN1CCN(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is FTHRTLBNJKGNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-19-9-11-20(12-10-19)15-5-7-21(8-6-15)17(23)18-14-3-2-4-16(13-14)22(24)25/h2-4,13,15H,5-12H2,1H3,(H,18,23).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide?
4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(3-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 58812911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).