methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate

C15H22N2O2 — CID 117028837

IUPACmethyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate
SMILESCOC(=O)c1cccc(N(C)CC2CCCNC2)c1
InChIInChI=1S/C15H22N2O2/c1-17(11-12-5-4-8-16-10-12)14-7-3-6-13(9-14)15(18)19-2/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3
InChIKeySRSJIEYQTAPODE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds4

About methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate

methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate (PubChem CID 117028837) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate
PubChem CID117028837
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate
SMILESCOC(=O)c1cccc(N(C)CC2CCCNC2)c1
InChIInChI=1S/C15H22N2O2/c1-17(11-12-5-4-8-16-10-12)14-7-3-6-13(9-14)15(18)19-2/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3
InChIKeySRSJIEYQTAPODE-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[methyl(piperidin-3-ylmethyl)amino]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-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
methyl 2-[methyl(pyrrolidin-3-ylmethyl)amino]benzoate
CID 117028824
methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate
CID 63636262
methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
N,2-dimethyl-N-(piperidin-3-ylmethyl)pyridin-4-amine
CID 83837363
methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
CID 106643376
(3-methoxycarbonyl-N-methylanilino)methanesulfinic acid
CID 174509231
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
CID 84672641
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate?
The IUPAC name of methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate (CID 117028837) is methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate.
What is the SMILES notation for methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate?
The canonical SMILES for methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate is COC(=O)c1cccc(N(C)CC2CCCNC2)c1.
What is the InChIKey of methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate?
The InChIKey is SRSJIEYQTAPODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(11-12-5-4-8-16-10-12)14-7-3-6-13(9-14)15(18)19-2/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3.
What are the key properties of methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate?
methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate has a molecular weight of 262.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate is sourced from PubChem (CID 117028837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).