N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide

C21H26N4O3 — CID 9182641

IUPACN'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
SMILESCCN(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C)cc1
InChIInChI=1S/C21H26N4O3/c1-3-24(18-10-8-16(2)9-11-18)22-21(26)17-12-14-23(15-13-17)19-6-4-5-7-20(19)25(27)28/h4-11,17H,3,12-15H2,1-2H3,(H,22,26)
InChIKeySKEATYDKPMONKQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.68
Rot. Bonds6

About N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide

N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide (PubChem CID 9182641) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
PubChem CID9182641
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
SMILESCCN(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C)cc1
InChIInChI=1S/C21H26N4O3/c1-3-24(18-10-8-16(2)9-11-18)22-21(26)17-12-14-23(15-13-17)19-6-4-5-7-20(19)25(27)28/h4-11,17H,3,12-15H2,1-2H3,(H,22,26)
InChIKeySKEATYDKPMONKQ-UHFFFAOYSA-N
XLogP3.68
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.68
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'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
CID 9271540
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9205519
1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide
CID 17499311
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-(6-methylheptan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 43000012
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 87041286

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide (CID 9182641) is N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide is CCN(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide?
The InChIKey is SKEATYDKPMONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-24(18-10-8-16(2)9-11-18)22-21(26)17-12-14-23(15-13-17)19-6-4-5-7-20(19)25(27)28/h4-11,17H,3,12-15H2,1-2H3,(H,22,26).
What are the key properties of N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide?
N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide has a molecular weight of 382.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 9182641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).