ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate

C27H34N2O6 — CID 55878992

IUPACethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1cccc(OC)c1
InChIInChI=1S/C27H34N2O6/c1-3-34-26(31)19-24(21-8-7-11-23(18-21)33-2)28-27(32)20-12-15-29(16-13-20)25(30)14-17-35-22-9-5-4-6-10-22/h4-11,18,20,24H,3,12-17,19H2,1-2H3,(H,28,32)
InChIKeyGKPYXGVMJZSWDG-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.51
Rot. Bonds11

About ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate

ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate (PubChem CID 55878992) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate
PubChem CID55878992
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Nameethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1cccc(OC)c1
InChIInChI=1S/C27H34N2O6/c1-3-34-26(31)19-24(21-8-7-11-23(18-21)33-2)28-27(32)20-12-15-29(16-13-20)25(30)14-17-35-22-9-5-4-6-10-22/h4-11,18,20,24H,3,12-17,19H2,1-2H3,(H,28,32)
InChIKeyGKPYXGVMJZSWDG-UHFFFAOYSA-N
XLogP3.51
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
1-[4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55885232
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856671
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate (CID 55878992) is ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate is CCOC(=O)CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate?
The InChIKey is GKPYXGVMJZSWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-3-34-26(31)19-24(21-8-7-11-23(18-21)33-2)28-27(32)20-12-15-29(16-13-20)25(30)14-17-35-22-9-5-4-6-10-22/h4-11,18,20,24H,3,12-17,19H2,1-2H3,(H,28,32).
What are the key properties of ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate?
ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate has a molecular weight of 482.58 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 55878992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).