methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate

C19H27NO5 — CID 112531591

IUPACmethyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C(C)Cc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C19H27NO5/c1-13(10-14-7-8-16(23-2)17(11-14)24-3)18(21)20-9-5-6-15(12-20)19(22)25-4/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3
InChIKeyNJPAODNBAYPGFS-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.29
Rot. Bonds6

About methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate

methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate (PubChem CID 112531591) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate
PubChem CID112531591
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namemethyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C(C)Cc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C19H27NO5/c1-13(10-14-7-8-16(23-2)17(11-14)24-3)18(21)20-9-5-6-15(12-20)19(22)25-4/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3
InChIKeyNJPAODNBAYPGFS-UHFFFAOYSA-N
XLogP2.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate
CID 112531529
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 84575608
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
(3S)-1-[(2R)-3-(3-bromo-4-fluorophenyl)-2-methylpropanoyl]piperidine-3-carboxylic acid
CID 124692592
methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
CID 108731321
1-[(3R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9474993
ethyl 1-[N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994047
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 110349084

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate (CID 112531591) is methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)C(C)Cc2ccc(OC)c(OC)c2)C1.
What is the InChIKey of methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate?
The InChIKey is NJPAODNBAYPGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-13(10-14-7-8-16(23-2)17(11-14)24-3)18(21)20-9-5-6-15(12-20)19(22)25-4/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3.
What are the key properties of methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate?
methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 112531591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).