ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate

C25H30N2O4 — CID 108559440

IUPACethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O4/c1-2-31-23(29)14-13-22(28)27-17-15-21(16-18-27)26-25(30)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21,24H,2,13-18H2,1H3,(H,26,30)
InChIKeySVAYZOJJJHZZNT-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.27
Rot. Bonds8

About ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate

ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate (PubChem CID 108559440) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
PubChem CID108559440
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Nameethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O4/c1-2-31-23(29)14-13-22(28)27-17-15-21(16-18-27)26-25(30)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21,24H,2,13-18H2,1H3,(H,26,30)
InChIKeySVAYZOJJJHZZNT-UHFFFAOYSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate with MolForge

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Related Compounds

N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108562813
ethyl 4-oxo-4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidin-1-yl]butanoate
CID 108560175
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
CID 110819826

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate (CID 108559440) is ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate?
The InChIKey is SVAYZOJJJHZZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-2-31-23(29)14-13-22(28)27-17-15-21(16-18-27)26-25(30)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21,24H,2,13-18H2,1H3,(H,26,30).
What are the key properties of ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate?
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate has a molecular weight of 422.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 108559440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).