methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate

C15H20N2O3 — CID 81139605

IUPACmethyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)12-6-4-11(5-7-12)9-17-14(18)13-3-2-8-16-10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyMVKCGTUGXUMJLJ-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds4

About methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate

methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate (PubChem CID 81139605) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
PubChem CID81139605
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)12-6-4-11(5-7-12)9-17-14(18)13-3-2-8-16-10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyMVKCGTUGXUMJLJ-CYBMUJFWSA-N
XLogP1.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
CID 119312808
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide
CID 119305558
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate (CID 81139605) is methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)[C@@H]2CCCNC2)cc1.
What is the InChIKey of methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate?
The InChIKey is MVKCGTUGXUMJLJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)12-6-4-11(5-7-12)9-17-14(18)13-3-2-8-16-10-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate?
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate is sourced from PubChem (CID 81139605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).