4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide

C14H18N4O4 — CID 4562506

IUPAC4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide
SMILESO=C(CN1CCCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N4O4/c19-13(10-17-8-2-1-3-9-17)15-16-14(20)11-4-6-12(7-5-11)18(21)22/h4-7H,1-3,8-10H2,(H,15,19)(H,16,20)
InChIKeyXQPJKYUSRLDFGM-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.84
Rot. Bonds4

About 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide

4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide (PubChem CID 4562506) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide
PubChem CID4562506
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide
SMILESO=C(CN1CCCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N4O4/c19-13(10-17-8-2-1-3-9-17)15-16-14(20)11-4-6-12(7-5-11)18(21)22/h4-7H,1-3,8-10H2,(H,15,19)(H,16,20)
InChIKeyXQPJKYUSRLDFGM-UHFFFAOYSA-N
XLogP0.84
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.84
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

1,4-Bis(4-nitrobenzoyl)piperazine
CID 3092238
1,2-Bis(4-nitrobenzoyl)hydrazine
CID 3373596
N'-(morpholin-4-ylacetyl)-4-nitrobenzohydrazide
CID 3793088
(4-Nitrophenyl)[4-(propan-2-yl)piperazin-1-yl]methanone
CID 764416
N-(4-nitrobenzoyl)-N'-phenylhydrazine
CID 3401606
BENZOIC ACID, p-NITRO-, ACETYLHYDRAZIDE
CID 3332418
1-(4-Nitrobenzoyl)piperazine
CID 544791
4-nitro-N-[(1E,3E)-4-phenyl-1-(1-piperidinylcarbonyl)-1,3-butadienyl]benzamide
CID 1100515
N-tert-butyl-2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108515
N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 4858823
4-Azepan-1-yl-3-nitrobenzohydrazide
CID 16193425
N-benzyl-4-(2-{4-nitrobenzoyl}hydrazino)-4-oxobutanamide
CID 3265549

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide?
The IUPAC name of 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide (CID 4562506) is 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide?
The canonical SMILES for 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide is O=C(CN1CCCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide?
The InChIKey is XQPJKYUSRLDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c19-13(10-17-8-2-1-3-9-17)15-16-14(20)11-4-6-12(7-5-11)18(21)22/h4-7H,1-3,8-10H2,(H,15,19)(H,16,20).
What are the key properties of 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide?
4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide has a molecular weight of 306.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-(2-piperidin-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 4562506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).