4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride

C15H21ClF3N3O2 — CID 120810936

IUPAC4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl
InChIInChI=1S/C15H20F3N3O2.ClH/c1-23-12-4-2-11(3-5-12)14(22)20-10-13(15(16,17)18)21-8-6-19-7-9-21;/h2-5,13,19H,6-10H2,1H3,(H,20,22);1H
InChIKeyXOGKZJNBDLYKGY-UHFFFAOYSA-N
MW367.80 g/mol
LogP1.68
Rot. Bonds5

About 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride

4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 120810936) has the molecular formula C15H21ClF3N3O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID120810936
Molecular FormulaC15H21ClF3N3O2
Molecular Weight367.80 g/mol
Exact Mass367.13
IUPAC Name4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl
InChIInChI=1S/C15H20F3N3O2.ClH/c1-23-12-4-2-11(3-5-12)14(22)20-10-13(15(16,17)18)21-8-6-19-7-9-21;/h2-5,13,19H,6-10H2,1H3,(H,20,22);1H
InChIKeyXOGKZJNBDLYKGY-UHFFFAOYSA-N
XLogP1.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811723
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811739
4-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813148
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810855
2-(4-methoxyphenyl)sulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811618
4-(difluoromethylsulfanyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812560
6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 120812673
4-nitro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813479
3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120811919

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 120810936) is 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride is COc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl.
What is the InChIKey of 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is XOGKZJNBDLYKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2.ClH/c1-23-12-4-2-11(3-5-12)14(22)20-10-13(15(16,17)18)21-8-6-19-7-9-21;/h2-5,13,19H,6-10H2,1H3,(H,20,22);1H.
What are the key properties of 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 367.80 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 120810936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).