methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate

C16H22N2O3 — CID 63122386

IUPACmethyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2(C)CCNCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-16(7-9-17-10-8-16)15(20)18-11-12-3-5-13(6-4-12)14(19)21-2/h3-6,17H,7-11H2,1-2H3,(H,18,20)
InChIKeyZPXWKHUJBPOZLC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.48
Rot. Bonds4

About methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate

methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate (PubChem CID 63122386) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate
PubChem CID63122386
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2(C)CCNCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-16(7-9-17-10-8-16)15(20)18-11-12-3-5-13(6-4-12)14(19)21-2/h3-6,17H,7-11H2,1-2H3,(H,18,20)
InChIKeyZPXWKHUJBPOZLC-UHFFFAOYSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate (CID 63122386) is methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)C2(C)CCNCC2)cc1.
What is the InChIKey of methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate?
The InChIKey is ZPXWKHUJBPOZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(7-9-17-10-8-16)15(20)18-11-12-3-5-13(6-4-12)14(19)21-2/h3-6,17H,7-11H2,1-2H3,(H,18,20).
What are the key properties of methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate?
methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate has a molecular weight of 290.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 63122386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).