ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate

C27H34N2O5 — CID 46046884

IUPACethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)COC)cc2)C1
InChIInChI=1S/C27H34N2O5/c1-4-34-27(32)23-9-6-14-28(18-23)25(30)16-21-10-12-24(13-11-21)29(26(31)19-33-3)17-22-8-5-7-20(2)15-22/h5,7-8,10-13,15,23H,4,6,9,14,16-19H2,1-3H3
InChIKeyXWPYTUSVYILNRW-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.52
Rot. Bonds9

About ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate (PubChem CID 46046884) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
PubChem CID46046884
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Nameethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)COC)cc2)C1
InChIInChI=1S/C27H34N2O5/c1-4-34-27(32)23-9-6-14-28(18-23)25(30)16-21-10-12-24(13-11-21)29(26(31)19-33-3)17-22-8-5-7-20(2)15-22/h5,7-8,10-13,15,23H,4,6,9,14,16-19H2,1-3H3
InChIKeyXWPYTUSVYILNRW-UHFFFAOYSA-N
XLogP3.52
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 42852925
ethyl 1-[2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46057071
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
ethyl (3S)-1-[2-[4-[benzyl(propanoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329378
ethyl 1-[2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46046771
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
CID 46046882
ethyl (3S)-1-[2-[4-[benzyl(cyclopentanecarbonyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329381
ethyl (3S)-1-[2-[4-[benzyl-(3-methoxybenzoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93291351
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl (3S)-1-[2-[4-[furan-2-carbonyl-[(4-methoxyphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329466
ethyl (3R)-1-[2-[4-[(2-methoxyphenyl)methyl-(4-methylbenzoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93291348
ethyl 1-[2-[3-[(4-fluorophenyl)methyl-(3-methoxybenzoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 42859539

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate (CID 46046884) is ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)COC)cc2)C1.
What is the InChIKey of ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate?
The InChIKey is XWPYTUSVYILNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-4-34-27(32)23-9-6-14-28(18-23)25(30)16-21-10-12-24(13-11-21)29(26(31)19-33-3)17-22-8-5-7-20(2)15-22/h5,7-8,10-13,15,23H,4,6,9,14,16-19H2,1-3H3.
What are the key properties of ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate has a molecular weight of 466.58 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 46046884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).