benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate

C23H27NO5 — CID 155892626

IUPACbenzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate
SMILESCCOC1CCN(C(=O)OCc2ccccc2)C(c2ccc(C(=O)OC)cc2)C1
InChIInChI=1S/C23H27NO5/c1-3-28-20-13-14-24(23(26)29-16-17-7-5-4-6-8-17)21(15-20)18-9-11-19(12-10-18)22(25)27-2/h4-12,20-21H,3,13-16H2,1-2H3
InChIKeyUVIJZRUSXMAQAO-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.35
Rot. Bonds6

About benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate

benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate (PubChem CID 155892626) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate
PubChem CID155892626
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namebenzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate
SMILESCCOC1CCN(C(=O)OCc2ccccc2)C(c2ccc(C(=O)OC)cc2)C1
InChIInChI=1S/C23H27NO5/c1-3-28-20-13-14-24(23(26)29-16-17-7-5-4-6-8-17)21(15-20)18-9-11-19(12-10-18)22(25)27-2/h4-12,20-21H,3,13-16H2,1-2H3
InChIKeyUVIJZRUSXMAQAO-UHFFFAOYSA-N
XLogP4.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S,4S)-4-methoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 121362645
benzyl (2S,4S)-2-(4-methoxycarbonylphenyl)-4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
CID 164586218
benzyl 4-ethoxy-2-(4-formyloxyphenyl)piperidine-1-carboxylate
CID 169049788
benzyl (2S,4S)-4-(cyclopropylmethoxy)-2-[4-(cyclopropylmethoxycarbonyl)phenyl]piperidine-1-carboxylate
CID 167472428
benzyl (2S)-4-ethoxy-2-(4-ethoxycarbonyl-2-methoxyphenyl)piperidine-1-carboxylate
CID 164586237
benzyl (6S)-6-(4-methoxycarbonylphenyl)-2-(trideuteriomethylsulfanyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 178035558
benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 140925152
benzyl (2R,4R)-2-(4-fluorophenyl)-4-methylsulfonylpiperidine-1-carboxylate
CID 135283968
benzyl 2-(4-fluorophenyl)-4-methylsulfonylpiperidine-1-carboxylate
CID 135352170
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
benzyl (6S)-6-(4-methoxycarbonylphenyl)-4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170632850
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908

Frequently Asked Questions

What is the IUPAC name of benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate (CID 155892626) is benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate is CCOC1CCN(C(=O)OCc2ccccc2)C(c2ccc(C(=O)OC)cc2)C1.
What is the InChIKey of benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate?
The InChIKey is UVIJZRUSXMAQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-3-28-20-13-14-24(23(26)29-16-17-7-5-4-6-8-17)21(15-20)18-9-11-19(12-10-18)22(25)27-2/h4-12,20-21H,3,13-16H2,1-2H3.
What are the key properties of benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate?
benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-ethoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 155892626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).