[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

C28H30N2O5 — CID 35377549

IUPAC[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C28H30N2O5/c31-26(30(20-23-10-5-2-6-11-23)16-13-22-8-3-1-4-9-22)21-35-28(33)24-14-17-29(18-15-24)27(32)25-12-7-19-34-25/h1-12,19,24H,13-18,20-21H2
InChIKeyWEDBCDHJJKQGEP-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.95
Rot. Bonds9

About [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 35377549) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID35377549
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C28H30N2O5/c31-26(30(20-23-10-5-2-6-11-23)16-13-22-8-3-1-4-9-22)21-35-28(33)24-14-17-29(18-15-24)27(32)25-12-7-19-34-25/h1-12,19,24H,13-18,20-21H2
InChIKeyWEDBCDHJJKQGEP-UHFFFAOYSA-N
XLogP3.95
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55475565
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609950
[2-oxo-2-(2-phenoxyethylamino)ethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35378115
2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609958
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 55323049
ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42699660
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate
CID 55802914
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 35377549) is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is WEDBCDHJJKQGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c31-26(30(20-23-10-5-2-6-11-23)16-13-22-8-3-1-4-9-22)21-35-28(33)24-14-17-29(18-15-24)27(32)25-12-7-19-34-25/h1-12,19,24H,13-18,20-21H2.
What are the key properties of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 35377549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).