ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate

C19H27NO5 — CID 94014719

IUPACethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CCc2cccc(OC)c2OC)C1
InChIInChI=1S/C19H27NO5/c1-4-25-19(22)15-8-6-12-20(13-15)17(21)11-10-14-7-5-9-16(23-2)18(14)24-3/h5,7,9,15H,4,6,8,10-13H2,1-3H3/t15-/m1/s1
InChIKeyMEXSQVIHXUKNBV-OAHLLOKOSA-N
MW349.43 g/mol
LogP2.44
Rot. Bonds7

About ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate

ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate (PubChem CID 94014719) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
PubChem CID94014719
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nameethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CCc2cccc(OC)c2OC)C1
InChIInChI=1S/C19H27NO5/c1-4-25-19(22)15-8-6-12-20(13-15)17(21)11-10-14-7-5-9-16(23-2)18(14)24-3/h5,7,9,15H,4,6,8,10-13H2,1-3H3/t15-/m1/s1
InChIKeyMEXSQVIHXUKNBV-OAHLLOKOSA-N
XLogP2.44
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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

ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
ethyl 1-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-3-carboxylate
CID 84565211
ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 110769736
ethyl 1-[N-ethyl-N'-[2-(2,3,4-trimethoxyphenyl)ethyl]carbamimidoyl]piperidine-3-carboxylate
CID 110993081
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 110763375
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
ethyl (3R)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 104794493
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368833
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate (CID 94014719) is ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)CCc2cccc(OC)c2OC)C1.
What is the InChIKey of ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate?
The InChIKey is MEXSQVIHXUKNBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27NO5/c1-4-25-19(22)15-8-6-12-20(13-15)17(21)11-10-14-7-5-9-16(23-2)18(14)24-3/h5,7,9,15H,4,6,8,10-13H2,1-3H3/t15-/m1/s1.
What are the key properties of ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate?
ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 94014719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).