5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid

C19H27NO6 — CID 122119535

IUPAC5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCOc1cc(CCC(=O)N2CC(C)CC(C(=O)O)C2)cc(OC)c1OC
InChIInChI=1S/C19H27NO6/c1-12-7-14(19(22)23)11-20(10-12)17(21)6-5-13-8-15(24-2)18(26-4)16(9-13)25-3/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,22,23)
InChIKeyRPVCRKUNKYUOCB-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.21
Rot. Bonds7

About 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid

5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 122119535) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
PubChem CID122119535
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCOc1cc(CCC(=O)N2CC(C)CC(C(=O)O)C2)cc(OC)c1OC
InChIInChI=1S/C19H27NO6/c1-12-7-14(19(22)23)11-20(10-12)17(21)6-5-13-8-15(24-2)18(26-4)16(9-13)25-3/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,22,23)
InChIKeyRPVCRKUNKYUOCB-UHFFFAOYSA-N
XLogP2.21
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4,5-trimethoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119353900
(3S,4S)-4-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120953288
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 72696254
1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652
1-(4-pyridin-4-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 18456346
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 119622600
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
1-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122118629
1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117682
1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94337272
1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
5-methyl-1-[4-(4-methylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 122118846

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid (CID 122119535) is 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid is COc1cc(CCC(=O)N2CC(C)CC(C(=O)O)C2)cc(OC)c1OC.
What is the InChIKey of 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is RPVCRKUNKYUOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO6/c1-12-7-14(19(22)23)11-20(10-12)17(21)6-5-13-8-15(24-2)18(26-4)16(9-13)25-3/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,22,23).
What are the key properties of 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid?
5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122119535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).