methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate

C19H26N2O5 — CID 55915477

IUPACmethyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ccc(OCC(=O)OC)cc1C
InChIInChI=1S/C19H26N2O5/c1-4-17(22)21-10-6-5-7-16(21)19(24)20-15-9-8-14(11-13(15)2)26-12-18(23)25-3/h8-9,11,16H,4-7,10,12H2,1-3H3,(H,20,24)
InChIKeyOIVLOVBAVUVZGQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.28
Rot. Bonds6

About methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate

methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate (PubChem CID 55915477) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate
PubChem CID55915477
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ccc(OCC(=O)OC)cc1C
InChIInChI=1S/C19H26N2O5/c1-4-17(22)21-10-6-5-7-16(21)19(24)20-15-9-8-14(11-13(15)2)26-12-18(23)25-3/h8-9,11,16H,4-7,10,12H2,1-3H3,(H,20,24)
InChIKeyOIVLOVBAVUVZGQ-UHFFFAOYSA-N
XLogP2.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate
CID 119299818
N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86840341
tert-butyl 4-[[4-(2-methoxy-2-oxoethoxy)-2-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 55978423
6-[[4-(2-methoxy-2-oxoethoxy)-2-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 47062070
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492469
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
CID 119231823
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
CID 119742503
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355
ethyl 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-2-yl]acetate
CID 56890366
N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide
CID 47259825
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
CID 119418982

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate (CID 55915477) is methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate is CCC(=O)N1CCCCC1C(=O)Nc1ccc(OCC(=O)OC)cc1C.
What is the InChIKey of methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is OIVLOVBAVUVZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-17(22)21-10-6-5-7-16(21)19(24)20-15-9-8-14(11-13(15)2)26-12-18(23)25-3/h8-9,11,16H,4-7,10,12H2,1-3H3,(H,20,24).
What are the key properties of methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate?
methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 362.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 55915477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).