methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate

C23H28N2O3 — CID 109032522

IUPACmethyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-28-23(27)20-9-5-6-10-21(20)24-14-11-22(26)25-15-12-19(13-16-25)17-18-7-3-2-4-8-18/h2-10,19,24H,11-17H2,1H3
InChIKeyIBZDWHZUJCRHOY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.76
Rot. Bonds7

About methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate

methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate (PubChem CID 109032522) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate
PubChem CID109032522
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namemethyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-28-23(27)20-9-5-6-10-21(20)24-14-11-22(26)25-15-12-19(13-16-25)17-18-7-3-2-4-8-18/h2-10,19,24H,11-17H2,1H3
InChIKeyIBZDWHZUJCRHOY-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952167
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603115
3-(2-methoxycarbonylanilino)propanoic acid
CID 15046919
1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
CID 42695488
dimethyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
CID 46506367
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]benzoate
CID 109017613

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate (CID 109032522) is methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate is COC(=O)c1ccccc1NCCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate?
The InChIKey is IBZDWHZUJCRHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-28-23(27)20-9-5-6-10-21(20)24-14-11-22(26)25-15-12-19(13-16-25)17-18-7-3-2-4-8-18/h2-10,19,24H,11-17H2,1H3.
What are the key properties of methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate?
methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate has a molecular weight of 380.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109032522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).