[2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate

C17H23NO6 — CID 23224708

IUPAC[2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate
SMILESCOc1cc(CC(=O)OC(=O)C2CCCCN2)cc(OC)c1OC
InChIInChI=1S/C17H23NO6/c1-21-13-8-11(9-14(22-2)16(13)23-3)10-15(19)24-17(20)12-6-4-5-7-18-12/h8-9,12,18H,4-7,10H2,1-3H3
InChIKeyCUIZCJPANDIYMN-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.47
Rot. Bonds6

About [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate

[2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate (PubChem CID 23224708) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate.

Molecular Properties

Compound Name[2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate
PubChem CID23224708
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name[2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate
SMILESCOc1cc(CC(=O)OC(=O)C2CCCCN2)cc(OC)c1OC
InChIInChI=1S/C17H23NO6/c1-21-13-8-11(9-14(22-2)16(13)23-3)10-15(19)24-17(20)12-6-4-5-7-18-12/h8-9,12,18H,4-7,10H2,1-3H3
InChIKeyCUIZCJPANDIYMN-UHFFFAOYSA-N
XLogP1.47
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4,5-trimethoxyphenyl)methyl pyrrolidine-2-carboxylate
CID 140666594
3-(3,4,5-trimethoxyphenyl)propyl pyrrolidine-2-carboxylate
CID 139386516
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706439
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013759
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
CID 79034994

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate?
The IUPAC name of [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate (CID 23224708) is [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate.
What is the SMILES notation for [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate?
The canonical SMILES for [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate is COc1cc(CC(=O)OC(=O)C2CCCCN2)cc(OC)c1OC.
What is the InChIKey of [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate?
The InChIKey is CUIZCJPANDIYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-21-13-8-11(9-14(22-2)16(13)23-3)10-15(19)24-17(20)12-6-4-5-7-18-12/h8-9,12,18H,4-7,10H2,1-3H3.
What are the key properties of [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate?
[2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate has a molecular weight of 337.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,5-trimethoxyphenyl)acetyl] piperidine-2-carboxylate is sourced from PubChem (CID 23224708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).