N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide

C24H30F3N3O — CID 90771390

IUPACN'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)NNCC1(c2ccccc2)CC(C)CN(C)C1
InChIInChI=1S/C24H30F3N3O/c1-4-18-12-20(24(25,26)27)10-11-21(18)22(31)29-28-15-23(19-8-6-5-7-9-19)13-17(2)14-30(3)16-23/h5-12,17,28H,4,13-16H2,1-3H3,(H,29,31)
InChIKeyXVRLGFCZFZIVAJ-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.41
Rot. Bonds6

About N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide

N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide (PubChem CID 90771390) has the molecular formula C24H30F3N3O and a molecular weight of 433.52 g/mol. Its IUPAC name is N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide
PubChem CID90771390
Molecular FormulaC24H30F3N3O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC NameN'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)NNCC1(c2ccccc2)CC(C)CN(C)C1
InChIInChI=1S/C24H30F3N3O/c1-4-18-12-20(24(25,26)27)10-11-21(18)22(31)29-28-15-23(19-8-6-5-7-9-19)13-17(2)14-30(3)16-23/h5-12,17,28H,4,13-16H2,1-3H3,(H,29,31)
InChIKeyXVRLGFCZFZIVAJ-UHFFFAOYSA-N
XLogP4.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide (CID 90771390) is N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide is CCc1cc(C(F)(F)F)ccc1C(=O)NNCC1(c2ccccc2)CC(C)CN(C)C1.
What is the InChIKey of N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide?
The InChIKey is XVRLGFCZFZIVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O/c1-4-18-12-20(24(25,26)27)10-11-21(18)22(31)29-28-15-23(19-8-6-5-7-9-19)13-17(2)14-30(3)16-23/h5-12,17,28H,4,13-16H2,1-3H3,(H,29,31).
What are the key properties of N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide?
N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide has a molecular weight of 433.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 90771390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).