methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate

C19H27F3N2O2 — CID 129108592

IUPACmethyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate
SMILESCCCN(c1cc(C(F)(F)F)cc(C(=O)OC)c1C)C1CCN(C)CC1
InChIInChI=1S/C19H27F3N2O2/c1-5-8-24(15-6-9-23(3)10-7-15)17-12-14(19(20,21)22)11-16(13(17)2)18(25)26-4/h11-12,15H,5-10H2,1-4H3
InChIKeyKRTWUBSFDRCXMW-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.11
Rot. Bonds5

About methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate

methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate (PubChem CID 129108592) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate
PubChem CID129108592
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Namemethyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate
SMILESCCCN(c1cc(C(F)(F)F)cc(C(=O)OC)c1C)C1CCN(C)CC1
InChIInChI=1S/C19H27F3N2O2/c1-5-8-24(15-6-9-23(3)10-7-15)17-12-14(19(20,21)22)11-16(13(17)2)18(25)26-4/h11-12,15H,5-10H2,1-4H3
InChIKeyKRTWUBSFDRCXMW-UHFFFAOYSA-N
XLogP4.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate 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

methyl 3-[ethyl-(1-propan-2-ylpiperidin-4-yl)amino]-2-methyl-5-(trifluoromethyl)benzoate
CID 70873916
methyl 5-bromo-3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methylbenzoate
CID 155147213
3-[N-ethyl-3-methoxycarbonyl-2-methyl-5-(trifluoromethyl)anilino]azetidine-1-carboxylic acid
CID 141368079
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 70913333
3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide
CID 70874777
3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 70913559
tert-butyl 4-[3-methoxycarbonyl-2-methyl-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 86719530
methyl 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoate
CID 90143714
N-[3-but-1-en-2-yl-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 123656616
methyl 3-[[(2R,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]-ethylamino]-5-(1,1-difluoropropyl)-2-methylbenzoate
CID 129108681
methyl 2-cyano-3-ethyl-5-(trifluoromethyl)benzoate
CID 134647101
methyl 5-(1-tert-butylazetidin-3-yl)-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
CID 70874080

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate?
The IUPAC name of methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate (CID 129108592) is methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate is CCCN(c1cc(C(F)(F)F)cc(C(=O)OC)c1C)C1CCN(C)CC1.
What is the InChIKey of methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate?
The InChIKey is KRTWUBSFDRCXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-5-8-24(15-6-9-23(3)10-7-15)17-12-14(19(20,21)22)11-16(13(17)2)18(25)26-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate?
methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate has a molecular weight of 372.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(1-methylpiperidin-4-yl)-propylamino]-5-(trifluoromethyl)benzoate is sourced from PubChem (CID 129108592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).