methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate

C18H26N2O4 — CID 47060322

IUPACmethyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C18H26N2O4/c1-13-7-8-16(23-2)15(10-13)19-17(21)12-20-9-5-4-6-14(20)11-18(22)24-3/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,19,21)
InChIKeyYQFFRXWINVMIFA-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.36
Rot. Bonds6

About methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate (PubChem CID 47060322) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate
PubChem CID47060322
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C18H26N2O4/c1-13-7-8-16(23-2)15(10-13)19-17(21)12-20-9-5-4-6-14(20)11-18(22)24-3/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,19,21)
InChIKeyYQFFRXWINVMIFA-UHFFFAOYSA-N
XLogP2.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 60524285
N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 94824962
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110919010
N-(2-methoxy-5-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110860294
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
CID 51965662
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9135005
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 42065088
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate (CID 47060322) is methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate?
The InChIKey is YQFFRXWINVMIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-7-8-16(23-2)15(10-13)19-17(21)12-20-9-5-4-6-14(20)11-18(22)24-3/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate has a molecular weight of 334.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 47060322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).