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

C19H27NO5 — CID 112531529

IUPACmethyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H27NO5/c1-13(11-14-8-9-16(23-2)17(12-14)24-3)18(21)20-10-6-5-7-15(20)19(22)25-4/h8-9,12-13,15H,5-7,10-11H2,1-4H3
InChIKeyYCPJHDRIVUFRLB-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.44
Rot. Bonds6

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

methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate (PubChem CID 112531529) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate
PubChem CID112531529
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namemethyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H27NO5/c1-13(11-14-8-9-16(23-2)17(12-14)24-3)18(21)20-10-6-5-7-15(20)19(22)25-4/h8-9,12-13,15H,5-7,10-11H2,1-4H3
InChIKeyYCPJHDRIVUFRLB-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxylate
CID 112531591
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 112531966
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 84575608
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate (CID 112531529) is methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)C(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate?
The InChIKey is YCPJHDRIVUFRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-13(11-14-8-9-16(23-2)17(12-14)24-3)18(21)20-10-6-5-7-15(20)19(22)25-4/h8-9,12-13,15H,5-7,10-11H2,1-4H3.
What are the key properties of methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate?
methyl 1-[3-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-2-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.44, 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-2-carboxylate is sourced from PubChem (CID 112531529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).