methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate

C24H30N2O3 — CID 69013818

IUPACmethyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C(=O)Cc2ccc(C)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-18-4-6-19(7-5-18)16-23(27)26(22-12-14-25(2)15-13-22)17-20-8-10-21(11-9-20)24(28)29-3/h4-11,22H,12-17H2,1-3H3
InChIKeyUJUSMTQQFAQTGF-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.45
Rot. Bonds6

About methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate

methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate (PubChem CID 69013818) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate
PubChem CID69013818
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Namemethyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C(=O)Cc2ccc(C)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-18-4-6-19(7-5-18)16-23(27)26(22-12-14-25(2)15-13-22)17-20-8-10-21(11-9-20)24(28)29-3/h4-11,22H,12-17H2,1-3H3
InChIKeyUJUSMTQQFAQTGF-UHFFFAOYSA-N
XLogP3.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate with MolForge

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Related Compounds

2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 68956341
N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride
CID 23512950
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
CID 174663762
methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 10139738
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 19114652
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
CID 89167069
methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
CID 52684721

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate (CID 69013818) is methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate is COC(=O)c1ccc(CN(C(=O)Cc2ccc(C)cc2)C2CCN(C)CC2)cc1.
What is the InChIKey of methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate?
The InChIKey is UJUSMTQQFAQTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-4-6-19(7-5-18)16-23(27)26(22-12-14-25(2)15-13-22)17-20-8-10-21(11-9-20)24(28)29-3/h4-11,22H,12-17H2,1-3H3.
What are the key properties of methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate?
methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate has a molecular weight of 394.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate is sourced from PubChem (CID 69013818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).