ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate

C26H33N3O3 — CID 45201924

IUPACethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCCN(Cc2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C26H33N3O3/c1-2-32-24(30)26(15-13-21-7-4-3-5-8-21)14-6-17-28(20-26)19-22-9-11-23(12-10-22)29-18-16-27-25(29)31/h3-5,7-12H,2,6,13-20H2,1H3,(H,27,31)
InChIKeyDSFVTXRNXYHMOT-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.99
Rot. Bonds8

About ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate

ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate (PubChem CID 45201924) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate
PubChem CID45201924
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Nameethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCCN(Cc2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C26H33N3O3/c1-2-32-24(30)26(15-13-21-7-4-3-5-8-21)14-6-17-28(20-26)19-22-9-11-23(12-10-22)29-18-16-27-25(29)31/h3-5,7-12H,2,6,13-20H2,1H3,(H,27,31)
InChIKeyDSFVTXRNXYHMOT-UHFFFAOYSA-N
XLogP3.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
ethyl 3-(3-phenylpropyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 45242661
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 26329598
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015
ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45197896
ethyl 1-(naphthalen-2-ylmethyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 10024006
ethyl (3S)-1-(5-methoxyfuran-2-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 42516014
ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241974
3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122033905

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate (CID 45201924) is ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCCN(Cc2ccc(N3CCNC3=O)cc2)C1.
What is the InChIKey of ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate?
The InChIKey is DSFVTXRNXYHMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-2-32-24(30)26(15-13-21-7-4-3-5-8-21)14-6-17-28(20-26)19-22-9-11-23(12-10-22)29-18-16-27-25(29)31/h3-5,7-12H,2,6,13-20H2,1H3,(H,27,31).
What are the key properties of ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate?
ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate has a molecular weight of 435.57 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate is sourced from PubChem (CID 45201924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).