4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide

C13H16F3N3O — CID 155928693

IUPAC4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1ccc(N2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-8-9(19-6-2-1-3-7-19)4-5-10(11)12(20)18-17/h4-5,8H,1-3,6-7,17H2,(H,18,20)
InChIKeyVUKNJRQTMWPKCS-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.30
Rot. Bonds2

About 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide

4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide (PubChem CID 155928693) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide
PubChem CID155928693
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1ccc(N2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-8-9(19-6-2-1-3-7-19)4-5-10(11)12(20)18-17/h4-5,8H,1-3,6-7,17H2,(H,18,20)
InChIKeyVUKNJRQTMWPKCS-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzamide
CID 43138481
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(trifluoromethyl)benzoic acid
CID 115560400
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
4-(azepan-1-yl)-2-(trifluoromethyl)benzonitrile
CID 43320619
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide
CID 16889920
N'-hydroxy-4-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 76979954
N'-hydroxy-4-(1,4-thiazepan-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 76903823
4-(3-aminopyrrolidin-1-yl)-2-(trifluoromethyl)benzamide
CID 55029458
4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzoic acid
CID 62710004
(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 151249599
1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168512080
1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16787596

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide (CID 155928693) is 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide is NNC(=O)c1ccc(N2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide?
The InChIKey is VUKNJRQTMWPKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)11-8-9(19-6-2-1-3-7-19)4-5-10(11)12(20)18-17/h4-5,8H,1-3,6-7,17H2,(H,18,20).
What are the key properties of 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide?
4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide has a molecular weight of 287.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 155928693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).