ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate

C22H31NO8 — CID 18272515

IUPACethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C22H31NO8/c1-5-30-22(26)16-8-10-23(11-9-16)19(24)14-31-20(25)7-6-15-12-17(27-2)21(29-4)18(13-15)28-3/h12-13,16H,5-11,14H2,1-4H3
InChIKeyFDWGQIFBVPDKNI-UHFFFAOYSA-N
MW437.49 g/mol
LogP1.99
Rot. Bonds10

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

ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate (PubChem CID 18272515) has the molecular formula C22H31NO8 and a molecular weight of 437.49 g/mol. Its IUPAC name is ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate
PubChem CID18272515
Molecular FormulaC22H31NO8
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Nameethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C22H31NO8/c1-5-30-22(26)16-8-10-23(11-9-16)19(24)14-31-20(25)7-6-15-12-17(27-2)21(29-4)18(13-15)28-3/h12-13,16H,5-11,14H2,1-4H3
InChIKeyFDWGQIFBVPDKNI-UHFFFAOYSA-N
XLogP1.99
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776579
1-[3-(3,4,5-trimethoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119353900
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
ethyl 1-[2-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 31983589
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019107
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 119622600

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate (CID 18272515) is ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate?
The InChIKey is FDWGQIFBVPDKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO8/c1-5-30-22(26)16-8-10-23(11-9-16)19(24)14-31-20(25)7-6-15-12-17(27-2)21(29-4)18(13-15)28-3/h12-13,16H,5-11,14H2,1-4H3.
What are the key properties of ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate has a molecular weight of 437.49 g/mol, XLogP of 1.99, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 18272515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).