dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate

C18H24N2O6 — CID 120616457

IUPACdimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCOCC1(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CCNCC1
InChIInChI=1S/C18H24N2O6/c1-24-11-18(4-6-19-7-5-18)17(23)20-14-9-12(15(21)25-2)8-13(10-14)16(22)26-3/h8-10,19H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyFAURLVWFWXSYET-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.21
Rot. Bonds6

About dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate (PubChem CID 120616457) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
PubChem CID120616457
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Namedimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCOCC1(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CCNCC1
InChIInChI=1S/C18H24N2O6/c1-24-11-18(4-6-19-7-5-18)17(23)20-14-9-12(15(21)25-2)8-13(10-14)16(22)26-3/h8-10,19H,4-7,11H2,1-3H3,(H,20,23)
InChIKeyFAURLVWFWXSYET-UHFFFAOYSA-N
XLogP1.21
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
N-[3-(diethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617800
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate (CID 120616457) is dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate is COCC1(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CCNCC1.
What is the InChIKey of dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is FAURLVWFWXSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-24-11-18(4-6-19-7-5-18)17(23)20-14-9-12(15(21)25-2)8-13(10-14)16(22)26-3/h8-10,19H,4-7,11H2,1-3H3,(H,20,23).
What are the key properties of dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 364.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 120616457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).