2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide

C22H24F4N4O — CID 66788385

IUPAC2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide
SMILESO=C(CC1CC1)NNc1nccc(N2CCC(F)(c3ccccc3)CC2)c1C(F)(F)F
InChIInChI=1S/C22H24F4N4O/c23-21(16-4-2-1-3-5-16)9-12-30(13-10-21)17-8-11-27-20(19(17)22(24,25)26)29-28-18(31)14-15-6-7-15/h1-5,8,11,15H,6-7,9-10,12-14H2,(H,27,29)(H,28,31)
InChIKeyCCZXWUGVDFJIJM-UHFFFAOYSA-N
MW436.45 g/mol
LogP4.81
Rot. Bonds6

About 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide

2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide (PubChem CID 66788385) has the molecular formula C22H24F4N4O and a molecular weight of 436.45 g/mol. Its IUPAC name is 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide
PubChem CID66788385
Molecular FormulaC22H24F4N4O
Molecular Weight436.45 g/mol
Exact Mass436.19
IUPAC Name2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide
SMILESO=C(CC1CC1)NNc1nccc(N2CCC(F)(c3ccccc3)CC2)c1C(F)(F)F
InChIInChI=1S/C22H24F4N4O/c23-21(16-4-2-1-3-5-16)9-12-30(13-10-21)17-8-11-27-20(19(17)22(24,25)26)29-28-18(31)14-15-6-7-15/h1-5,8,11,15H,6-7,9-10,12-14H2,(H,27,29)(H,28,31)
InChIKeyCCZXWUGVDFJIJM-UHFFFAOYSA-N
XLogP4.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The IUPAC name of 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide (CID 66788385) is 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide is O=C(CC1CC1)NNc1nccc(N2CCC(F)(c3ccccc3)CC2)c1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
The InChIKey is CCZXWUGVDFJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O/c23-21(16-4-2-1-3-5-16)9-12-30(13-10-21)17-8-11-27-20(19(17)22(24,25)26)29-28-18(31)14-15-6-7-15/h1-5,8,11,15H,6-7,9-10,12-14H2,(H,27,29)(H,28,31).
What are the key properties of 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide?
2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide has a molecular weight of 436.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-[4-(4-fluoro-4-phenylpiperidin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]acetohydrazide is sourced from PubChem (CID 66788385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).