ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate

C19H27NO5 — CID 110769736

IUPACethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2cc(OC)c(C)cc2OC)C1
InChIInChI=1S/C19H27NO5/c1-5-25-19(22)14-7-6-8-20(12-14)18(21)11-15-10-16(23-3)13(2)9-17(15)24-4/h9-10,14H,5-8,11-12H2,1-4H3
InChIKeyHDVLMDPCEMGVQF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.36
Rot. Bonds6

About ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate (PubChem CID 110769736) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate
PubChem CID110769736
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nameethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2cc(OC)c(C)cc2OC)C1
InChIInChI=1S/C19H27NO5/c1-5-25-19(22)14-7-6-8-20(12-14)18(21)11-15-10-16(23-3)13(2)9-17(15)24-4/h9-10,14H,5-8,11-12H2,1-4H3
InChIKeyHDVLMDPCEMGVQF-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
ethyl (3S)-1-[2-(2,4-dimethylphenoxy)acetyl]piperidine-3-carboxylate
CID 51969349
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014719
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809096
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110803874
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate (CID 110769736) is ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2cc(OC)c(C)cc2OC)C1.
What is the InChIKey of ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate?
The InChIKey is HDVLMDPCEMGVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-5-25-19(22)14-7-6-8-20(12-14)18(21)11-15-10-16(23-3)13(2)9-17(15)24-4/h9-10,14H,5-8,11-12H2,1-4H3.
What are the key properties of ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 110769736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).