methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate

C24H30F3N3O4 — CID 24854736

IUPACmethyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCCOc1cc(CN2CCC(Nc3cc(C(F)(F)F)c(C(=O)OC)cn3)CC2)ccc1OC
InChIInChI=1S/C24H30F3N3O4/c1-4-11-34-21-12-16(5-6-20(21)32-2)15-30-9-7-17(8-10-30)29-22-13-19(24(25,26)27)18(14-28-22)23(31)33-3/h5-6,12-14,17H,4,7-11,15H2,1-3H3,(H,28,29)
InChIKeyKCJTXSVLQXERPX-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.76
Rot. Bonds9

About methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate

methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 24854736) has the molecular formula C24H30F3N3O4 and a molecular weight of 481.52 g/mol. Its IUPAC name is methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID24854736
Molecular FormulaC24H30F3N3O4
Molecular Weight481.52 g/mol
Exact Mass481.22
IUPAC Namemethyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCCOc1cc(CN2CCC(Nc3cc(C(F)(F)F)c(C(=O)OC)cn3)CC2)ccc1OC
InChIInChI=1S/C24H30F3N3O4/c1-4-11-34-21-12-16(5-6-20(21)32-2)15-30-9-7-17(8-10-30)29-22-13-19(24(25,26)27)18(14-28-22)23(31)33-3/h5-6,12-14,17H,4,7-11,15H2,1-3H3,(H,28,29)
InChIKeyKCJTXSVLQXERPX-UHFFFAOYSA-N
XLogP4.76
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67402144
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
CID 24855171
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 24855392
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 141184288
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
CID 68779447
2-[[1-[(4-methoxy-3-propoxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043450
methyl 5-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67401247
2-[[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid
CID 87201759
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate (CID 24854736) is methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate is CCCOc1cc(CN2CCC(Nc3cc(C(F)(F)F)c(C(=O)OC)cn3)CC2)ccc1OC.
What is the InChIKey of methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is KCJTXSVLQXERPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O4/c1-4-11-34-21-12-16(5-6-20(21)32-2)15-30-9-7-17(8-10-30)29-22-13-19(24(25,26)27)18(14-28-22)23(31)33-3/h5-6,12-14,17H,4,7-11,15H2,1-3H3,(H,28,29).
What are the key properties of methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate?
methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 481.52 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 24854736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).