ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

C22H32N4O4 — CID 56953256

IUPACethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)Nc2ncc(OC)cc23)CC1
InChIInChI=1S/C22H32N4O4/c1-3-30-21(28)26-8-4-16(5-9-26)15-25-10-6-22(7-11-25)13-19(27)24-20-18(22)12-17(29-2)14-23-20/h12,14,16H,3-11,13,15H2,1-2H3,(H,23,24,27)
InChIKeyLNYOXOGJFFTTCX-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.63
Rot. Bonds4

About ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (PubChem CID 56953256) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
PubChem CID56953256
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Nameethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)Nc2ncc(OC)cc23)CC1
InChIInChI=1S/C22H32N4O4/c1-3-30-21(28)26-8-4-16(5-9-26)15-25-10-6-22(7-11-25)13-19(27)24-20-18(22)12-17(29-2)14-23-20/h12,14,16H,3-11,13,15H2,1-2H3,(H,23,24,27)
InChIKeyLNYOXOGJFFTTCX-UHFFFAOYSA-N
XLogP2.63
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 56952971
ethyl 4-[(1-acetyl-5-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433734
2-methoxyethyl 1'-[(1-ethoxycarbonylpiperidin-4-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 11992518
ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 14371822
methyl 4-[(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433666
ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433653
ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 155518790
[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
CID 23933633
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 97124904
ethyl 4-[(6-oxopiperidin-2-yl)methyl]piperazine-1-carboxylate
CID 167785062
ethyl 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]piperidine-1-carboxylate
CID 15181465
ethyl 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42920226

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (CID 56953256) is ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)Nc2ncc(OC)cc23)CC1.
What is the InChIKey of ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The InChIKey is LNYOXOGJFFTTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-3-30-21(28)26-8-4-16(5-9-26)15-25-10-6-22(7-11-25)13-19(27)24-20-18(22)12-17(29-2)14-23-20/h12,14,16H,3-11,13,15H2,1-2H3,(H,23,24,27).
What are the key properties of ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 56953256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).