ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

C24H36N4O3 — CID 56952778

IUPACethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCCN1C(=O)CC2(CCN(CC3CCN(C(=O)OCC)CC3)CC2)c2cccnc21
InChIInChI=1S/C24H36N4O3/c1-3-12-28-21(29)17-24(20-6-5-11-25-22(20)28)9-15-26(16-10-24)18-19-7-13-27(14-8-19)23(30)31-4-2/h5-6,11,19H,3-4,7-10,12-18H2,1-2H3
InChIKeyAATNRUXRJQIOEV-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.43
Rot. Bonds5

About ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (PubChem CID 56952778) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
PubChem CID56952778
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Nameethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCCN1C(=O)CC2(CCN(CC3CCN(C(=O)OCC)CC3)CC2)c2cccnc21
InChIInChI=1S/C24H36N4O3/c1-3-12-28-21(29)17-24(20-6-5-11-25-22(20)28)9-15-26(16-10-24)18-19-7-13-27(14-8-19)23(30)31-4-2/h5-6,11,19H,3-4,7-10,12-18H2,1-2H3
InChIKeyAATNRUXRJQIOEV-UHFFFAOYSA-N
XLogP3.43
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (CID 56952778) is ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is CCCN1C(=O)CC2(CCN(CC3CCN(C(=O)OCC)CC3)CC2)c2cccnc21.
What is the InChIKey of ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The InChIKey is AATNRUXRJQIOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-3-12-28-21(29)17-24(20-6-5-11-25-22(20)28)9-15-26(16-10-24)18-19-7-13-27(14-8-19)23(30)31-4-2/h5-6,11,19H,3-4,7-10,12-18H2,1-2H3.
What are the key properties of ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate has a molecular weight of 428.58 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 56952778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).