ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate

C24H26N2O4 — CID 56672244

IUPACethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1C(=O)N1CCCCC1
InChIInChI=1S/C24H26N2O4/c1-2-29-24(28)21-20(23(27)26-13-7-4-8-14-26)18-15-17(16-9-5-3-6-10-16)11-12-19(18)30-22(21)25/h3,5-6,9-12,15,20H,2,4,7-8,13-14,25H2,1H3
InChIKeyGADIGRPXFZSBKU-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.58
Rot. Bonds4

About ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate

ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate (PubChem CID 56672244) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate
PubChem CID56672244
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Nameethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1C(=O)N1CCCCC1
InChIInChI=1S/C24H26N2O4/c1-2-29-24(28)21-20(23(27)26-13-7-4-8-14-26)18-15-17(16-9-5-3-6-10-16)11-12-19(18)30-22(21)25/h3,5-6,9-12,15,20H,2,4,7-8,13-14,25H2,1H3
InChIKeyGADIGRPXFZSBKU-UHFFFAOYSA-N
XLogP3.58
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate (CID 56672244) is ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1C(=O)N1CCCCC1.
What is the InChIKey of ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate?
The InChIKey is GADIGRPXFZSBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-2-29-24(28)21-20(23(27)26-13-7-4-8-14-26)18-15-17(16-9-5-3-6-10-16)11-12-19(18)30-22(21)25/h3,5-6,9-12,15,20H,2,4,7-8,13-14,25H2,1H3.
What are the key properties of ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate?
ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-phenyl-4-(piperidine-1-carbonyl)-4H-chromene-3-carboxylate is sourced from PubChem (CID 56672244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).