ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate

C26H32N6O2 — CID 10253726

IUPACethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3nc(N4CCCCC4)c(N)cc3cc2-c2ccccc2)CC1
InChIInChI=1S/C26H32N6O2/c1-2-34-26(33)32-15-13-31(14-16-32)24-21(19-9-5-3-6-10-19)17-20-18-22(27)25(29-23(20)28-24)30-11-7-4-8-12-30/h3,5-6,9-10,17-18H,2,4,7-8,11-16,27H2,1H3
InChIKeyFLCNQEZLOKLWFM-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.15
Rot. Bonds4

About ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate

ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate (PubChem CID 10253726) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
PubChem CID10253726
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Nameethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3nc(N4CCCCC4)c(N)cc3cc2-c2ccccc2)CC1
InChIInChI=1S/C26H32N6O2/c1-2-34-26(33)32-15-13-31(14-16-32)24-21(19-9-5-3-6-10-19)17-20-18-22(27)25(29-23(20)28-24)30-11-7-4-8-12-30/h3,5-6,9-10,17-18H,2,4,7-8,11-16,27H2,1H3
InChIKeyFLCNQEZLOKLWFM-UHFFFAOYSA-N
XLogP4.15
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate (CID 10253726) is ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc3nc(N4CCCCC4)c(N)cc3cc2-c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate?
The InChIKey is FLCNQEZLOKLWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-2-34-26(33)32-15-13-31(14-16-32)24-21(19-9-5-3-6-10-19)17-20-18-22(27)25(29-23(20)28-24)30-11-7-4-8-12-30/h3,5-6,9-10,17-18H,2,4,7-8,11-16,27H2,1H3.
What are the key properties of ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate?
ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate has a molecular weight of 460.58 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-amino-3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 10253726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).