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

C22H34N4O2 — CID 56952971

IUPACethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC3(CC2)CCN(C)c2ncccc23)CC1
InChIInChI=1S/C22H34N4O2/c1-3-28-21(27)26-12-6-18(7-13-26)17-25-15-9-22(10-16-25)8-14-24(2)20-19(22)5-4-11-23-20/h4-5,11,18H,3,6-10,12-17H2,1-2H3
InChIKeyMOYCQYSRMXTFPS-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.12
Rot. Bonds3

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

ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (PubChem CID 56952971) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
PubChem CID56952971
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Nameethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC3(CC2)CCN(C)c2ncccc23)CC1
InChIInChI=1S/C22H34N4O2/c1-3-28-21(27)26-12-6-18(7-13-26)17-25-15-9-22(10-16-25)8-14-24(2)20-19(22)5-4-11-23-20/h4-5,11,18H,3,6-10,12-17H2,1-2H3
InChIKeyMOYCQYSRMXTFPS-UHFFFAOYSA-N
XLogP3.12
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 155518790
2-methoxyethyl 1'-[(1-ethoxycarbonylpiperidin-4-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 11992518
ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433653
ethyl 4-[(6-methoxy-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 56953256
ethyl 4-(2-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)piperidine-1-carboxylate
CID 59047091
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
ethyl 4-[(1-acetyl-5-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433734
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 72544272
benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate
CID 118534996
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
benzyl 3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]pyrrolidine-1-carboxylate
CID 176896645

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (CID 56952971) is ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CCC3(CC2)CCN(C)c2ncccc23)CC1.
What is the InChIKey of ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The InChIKey is MOYCQYSRMXTFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-3-28-21(27)26-12-6-18(7-13-26)17-25-15-9-22(10-16-25)8-14-24(2)20-19(22)5-4-11-23-20/h4-5,11,18H,3,6-10,12-17H2,1-2H3.
What are the key properties of ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate has a molecular weight of 386.54 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylspiro[2,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 56952971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).