methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate

C17H24N2O5 — CID 119787129

IUPACmethyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C2(OC)CCNCC2)c1
InChIInChI=1S/C17H24N2O5/c1-22-15(20)12-24-14-5-3-4-13(10-14)11-19-16(21)17(23-2)6-8-18-9-7-17/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21)
InChIKeyUAFPJPAHEVLBIJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.62
Rot. Bonds7

About methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate

methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate (PubChem CID 119787129) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
PubChem CID119787129
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C2(OC)CCNCC2)c1
InChIInChI=1S/C17H24N2O5/c1-22-15(20)12-24-14-5-3-4-13(10-14)11-19-16(21)17(23-2)6-8-18-9-7-17/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21)
InChIKeyUAFPJPAHEVLBIJ-UHFFFAOYSA-N
XLogP0.62
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate
CID 119787961
N-[(3-ethoxyphenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63128509
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119847386
4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 119793204
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate (CID 119787129) is methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate is COC(=O)COc1cccc(CNC(=O)C2(OC)CCNCC2)c1.
What is the InChIKey of methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate?
The InChIKey is UAFPJPAHEVLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-15(20)12-24-14-5-3-4-13(10-14)11-19-16(21)17(23-2)6-8-18-9-7-17/h3-5,10,18H,6-9,11-12H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate?
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate has a molecular weight of 336.39 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate is sourced from PubChem (CID 119787129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).