methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate

C16H22N2O4 — CID 119299818

IUPACmethyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2CCCCN2)c(C)c1
InChIInChI=1S/C16H22N2O4/c1-11-9-12(22-10-15(19)21-2)6-7-13(11)18-16(20)14-5-3-4-8-17-14/h6-7,9,14,17H,3-5,8,10H2,1-2H3,(H,18,20)
InChIKeyBECGIOOVZISSAP-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.63
Rot. Bonds5

About methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate

methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate (PubChem CID 119299818) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate
PubChem CID119299818
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2CCCCN2)c(C)c1
InChIInChI=1S/C16H22N2O4/c1-11-9-12(22-10-15(19)21-2)6-7-13(11)18-16(20)14-5-3-4-8-17-14/h6-7,9,14,17H,3-5,8,10H2,1-2H3,(H,18,20)
InChIKeyBECGIOOVZISSAP-UHFFFAOYSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate
CID 119742541
methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate
CID 55915477
methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
CID 119325625
6-[[4-(2-methoxy-2-oxoethoxy)-2-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 47062070
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate (CID 119299818) is methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate is COC(=O)COc1ccc(NC(=O)C2CCCCN2)c(C)c1.
What is the InChIKey of methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate?
The InChIKey is BECGIOOVZISSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-9-12(22-10-15(19)21-2)6-7-13(11)18-16(20)14-5-3-4-8-17-14/h6-7,9,14,17H,3-5,8,10H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate?
methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate has a molecular weight of 306.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate is sourced from PubChem (CID 119299818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).