methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide

C22H29F3N4O — CID 157490404

IUPACmethane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide
SMILESC.NNC(=O)Cc1ccc(CCc2ccc(N3CCNCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C21H25F3N4O.CH4/c22-21(23,24)19-14-18(28-11-9-26-10-12-28)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(29)27-25;/h1-4,7-8,14,26H,5-6,9-13,25H2,(H,27,29);1H4
InChIKeyBXEXZRHBFVCGEK-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.07
Rot. Bonds6

About methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide

methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide (PubChem CID 157490404) has the molecular formula C22H29F3N4O and a molecular weight of 422.50 g/mol. Its IUPAC name is methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Namemethane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide
PubChem CID157490404
Molecular FormulaC22H29F3N4O
Molecular Weight422.50 g/mol
Exact Mass422.23
IUPAC Namemethane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide
SMILESC.NNC(=O)Cc1ccc(CCc2ccc(N3CCNCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C21H25F3N4O.CH4/c22-21(23,24)19-14-18(28-11-9-26-10-12-28)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(29)27-25;/h1-4,7-8,14,26H,5-6,9-13,25H2,(H,27,29);1H4
InChIKeyBXEXZRHBFVCGEK-UHFFFAOYSA-N
XLogP3.07
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide?
The IUPAC name of methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide (CID 157490404) is methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide is C.NNC(=O)Cc1ccc(CCc2ccc(N3CCNCC3)cc2C(F)(F)F)cc1.
What is the InChIKey of methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide?
The InChIKey is BXEXZRHBFVCGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O.CH4/c22-21(23,24)19-14-18(28-11-9-26-10-12-28)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(29)27-25;/h1-4,7-8,14,26H,5-6,9-13,25H2,(H,27,29);1H4.
What are the key properties of methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide?
methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide has a molecular weight of 422.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 157490404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).