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

C16H22N2O4 — CID 119325625

IUPACmethyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C16H22N2O4/c1-21-15(19)11-22-13-6-4-5-12(9-13)10-18-16(20)14-7-2-3-8-17-14/h4-6,9,14,17H,2-3,7-8,10-11H2,1H3,(H,18,20)
InChIKeyDUHHRKSTOPGQRT-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.00
Rot. Bonds6

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

methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate (PubChem CID 119325625) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
PubChem CID119325625
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C16H22N2O4/c1-21-15(19)11-22-13-6-4-5-12(9-13)10-18-16(20)14-7-2-3-8-17-14/h4-6,9,14,17H,2-3,7-8,10-11H2,1H3,(H,18,20)
InChIKeyDUHHRKSTOPGQRT-UHFFFAOYSA-N
XLogP1.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
CID 119283191
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
methyl 2-[3-[(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325626
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate (CID 119325625) is methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate is COC(=O)COc1cccc(CNC(=O)C2CCCCN2)c1.
What is the InChIKey of methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate?
The InChIKey is DUHHRKSTOPGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-15(19)11-22-13-6-4-5-12(9-13)10-18-16(20)14-7-2-3-8-17-14/h4-6,9,14,17H,2-3,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate?
methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate has a molecular weight of 306.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 119325625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).