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

C16H23ClF3N3O2 — CID 120812584

IUPAC3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOCc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1.Cl
InChIInChI=1S/C16H22F3N3O2.ClH/c1-24-11-12-3-2-4-13(9-12)15(23)21-10-14(16(17,18)19)22-7-5-20-6-8-22;/h2-4,9,14,20H,5-8,10-11H2,1H3,(H,21,23);1H
InChIKeyNTHANPZNCQZZGW-UHFFFAOYSA-N
MW381.83 g/mol
LogP1.82
Rot. Bonds6

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

3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 120812584) has the molecular formula C16H23ClF3N3O2 and a molecular weight of 381.83 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID120812584
Molecular FormulaC16H23ClF3N3O2
Molecular Weight381.83 g/mol
Exact Mass381.14
IUPAC Name3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOCc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1.Cl
InChIInChI=1S/C16H22F3N3O2.ClH/c1-24-11-12-3-2-4-13(9-12)15(23)21-10-14(16(17,18)19)22-7-5-20-6-8-22;/h2-4,9,14,20H,5-8,10-11H2,1H3,(H,21,23);1H
InChIKeyNTHANPZNCQZZGW-UHFFFAOYSA-N
XLogP1.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811151
3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 120810745
3-phenoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811762
3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812115
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
3-(carbamoylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813798
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
3-(difluoromethoxy)-4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813300
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810855
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2-(3-propan-2-yloxyphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812892
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 120812584) is 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride is COCc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1.Cl.
What is the InChIKey of 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is NTHANPZNCQZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2.ClH/c1-24-11-12-3-2-4-13(9-12)15(23)21-10-14(16(17,18)19)22-7-5-20-6-8-22;/h2-4,9,14,20H,5-8,10-11H2,1H3,(H,21,23);1H.
What are the key properties of 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride?
3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 381.83 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 120812584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).