ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate

C25H28N2O4 — CID 25074088

IUPACethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N1CCCCC1
InChIInChI=1S/C25H28N2O4/c1-2-30-25(29)23-20(16-22(28)27-13-7-4-8-14-27)19-15-18(17-9-5-3-6-10-17)11-12-21(19)31-24(23)26/h3,5-6,9-12,15,20H,2,4,7-8,13-14,16,26H2,1H3
InChIKeyOAQRTYPSBVKMCX-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.97
Rot. Bonds5

About ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate

ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate (PubChem CID 25074088) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate
PubChem CID25074088
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Nameethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N1CCCCC1
InChIInChI=1S/C25H28N2O4/c1-2-30-25(29)23-20(16-22(28)27-13-7-4-8-14-27)19-15-18(17-9-5-3-6-10-17)11-12-21(19)31-24(23)26/h3,5-6,9-12,15,20H,2,4,7-8,13-14,16,26H2,1H3
InChIKeyOAQRTYPSBVKMCX-UHFFFAOYSA-N
XLogP3.97
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate (CID 25074088) is ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N1CCCCC1.
What is the InChIKey of ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate?
The InChIKey is OAQRTYPSBVKMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-2-30-25(29)23-20(16-22(28)27-13-7-4-8-14-27)19-15-18(17-9-5-3-6-10-17)11-12-21(19)31-24(23)26/h3,5-6,9-12,15,20H,2,4,7-8,13-14,16,26H2,1H3.
What are the key properties of ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate?
ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 25074088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).