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

C24H27N3O4 — CID 25074410

IUPACethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N1CCNCC1
InChIInChI=1S/C24H27N3O4/c1-2-30-24(29)22-19(15-21(28)27-12-10-26-11-13-27)18-14-17(16-6-4-3-5-7-16)8-9-20(18)31-23(22)25/h3-9,14,19,26H,2,10-13,15,25H2,1H3
InChIKeyHKYPJUIYTOXQDB-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.38
Rot. Bonds5

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

ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate (PubChem CID 25074410) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate
PubChem CID25074410
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Nameethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N1CCNCC1
InChIInChI=1S/C24H27N3O4/c1-2-30-24(29)22-19(15-21(28)27-12-10-26-11-13-27)18-14-17(16-6-4-3-5-7-16)8-9-20(18)31-23(22)25/h3-9,14,19,26H,2,10-13,15,25H2,1H3
InChIKeyHKYPJUIYTOXQDB-UHFFFAOYSA-N
XLogP2.38
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate (CID 25074410) is ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N1CCNCC1.
What is the InChIKey of ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate?
The InChIKey is HKYPJUIYTOXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-2-30-24(29)22-19(15-21(28)27-12-10-26-11-13-27)18-14-17(16-6-4-3-5-7-16)8-9-20(18)31-23(22)25/h3-9,14,19,26H,2,10-13,15,25H2,1H3.
What are the key properties of ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate?
ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 25074410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).