3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

C18H26F3N3O2 — CID 120812115

IUPAC3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESCC(C)COc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C18H26F3N3O2/c1-13(2)12-26-15-5-3-4-14(10-15)17(25)23-11-16(18(19,20)21)24-8-6-22-7-9-24/h3-5,10,13,16,22H,6-9,11-12H2,1-2H3,(H,23,25)
InChIKeySUKKFPILSAYHPD-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.29
Rot. Bonds7

About 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (PubChem CID 120812115) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
PubChem CID120812115
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESCC(C)COc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C18H26F3N3O2/c1-13(2)12-26-15-5-3-4-14(10-15)17(25)23-11-16(18(19,20)21)24-8-6-22-7-9-24/h3-5,10,13,16,22H,6-9,11-12H2,1-2H3,(H,23,25)
InChIKeySUKKFPILSAYHPD-UHFFFAOYSA-N
XLogP2.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811762
3-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 120810745
3-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812584
2-(3-methylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813457
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-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
2-(3-propan-2-yloxyphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812892
3-(sulfamoylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811151
4-(trifluoromethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811723
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (CID 120812115) is 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is CC(C)COc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The InChIKey is SUKKFPILSAYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-13(2)12-26-15-5-3-4-14(10-15)17(25)23-11-16(18(19,20)21)24-8-6-22-7-9-24/h3-5,10,13,16,22H,6-9,11-12H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide has a molecular weight of 373.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 120812115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).