N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide

C21H24N4O4 — CID 9271540

IUPACN'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1
InChIInChI=1S/C21H24N4O4/c1-14-7-8-17(15(2)13-14)21(27)23-22-20(26)16-9-11-24(12-10-16)18-5-3-4-6-19(18)25(28)29/h3-8,13,16H,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyJMPCBBLZKJARTG-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.89
Rot. Bonds4

About N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide

N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide (PubChem CID 9271540) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
PubChem CID9271540
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1
InChIInChI=1S/C21H24N4O4/c1-14-7-8-17(15(2)13-14)21(27)23-22-20(26)16-9-11-24(12-10-16)18-5-3-4-6-19(18)25(28)29/h3-8,13,16H,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyJMPCBBLZKJARTG-UHFFFAOYSA-N
XLogP2.89
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
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

1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide
CID 40717460
N'-ethyl-N'-(4-methylphenyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
CID 9182641
methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate
CID 9160892
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9263355
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 35031896
N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9205519
N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
CID 27693886
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide (CID 9271540) is N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide?
The InChIKey is JMPCBBLZKJARTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14-7-8-17(15(2)13-14)21(27)23-22-20(26)16-9-11-24(12-10-16)18-5-3-4-6-19(18)25(28)29/h3-8,13,16H,9-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide?
N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide has a molecular weight of 396.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 9271540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).