N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide

C20H19F3N4O5 — CID 27693886

IUPACN'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1O
InChIInChI=1S/C20H19F3N4O5/c21-20(22,23)13-5-6-15(16(11-13)27(31)32)26-9-7-12(8-10-26)18(29)24-25-19(30)14-3-1-2-4-17(14)28/h1-6,11-12,28H,7-10H2,(H,24,29)(H,25,30)
InChIKeySFBIFWBEPSYQQB-UHFFFAOYSA-N
MW452.39 g/mol
LogP3.00
Rot. Bonds4

About N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide

N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide (PubChem CID 27693886) has the molecular formula C20H19F3N4O5 and a molecular weight of 452.39 g/mol. Its IUPAC name is N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
PubChem CID27693886
Molecular FormulaC20H19F3N4O5
Molecular Weight452.39 g/mol
Exact Mass452.13
IUPAC NameN'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1O
InChIInChI=1S/C20H19F3N4O5/c21-20(22,23)13-5-6-15(16(11-13)27(31)32)26-9-7-12(8-10-26)18(29)24-25-19(30)14-3-1-2-4-17(14)28/h1-6,11-12,28H,7-10H2,(H,24,29)(H,25,30)
InChIKeySFBIFWBEPSYQQB-UHFFFAOYSA-N
XLogP3.00
TPSA124.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide?
The IUPAC name of N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide (CID 27693886) is N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide?
The canonical SMILES for N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1O.
What is the InChIKey of N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide?
The InChIKey is SFBIFWBEPSYQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O5/c21-20(22,23)13-5-6-15(16(11-13)27(31)32)26-9-7-12(8-10-26)18(29)24-25-19(30)14-3-1-2-4-17(14)28/h1-6,11-12,28H,7-10H2,(H,24,29)(H,25,30).
What are the key properties of N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide?
N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide has a molecular weight of 452.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 27693886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).