ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C27H34FN3O4 — CID 59433428

IUPACethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)c2cc(C)oc2C)c2ccc(F)cc23)CC1
InChIInChI=1S/C27H34FN3O4/c1-4-34-26(33)30-11-7-21(8-12-30)29-13-9-27(10-14-29)17-31(24-6-5-20(28)16-23(24)27)25(32)22-15-18(2)35-19(22)3/h5-6,15-16,21H,4,7-14,17H2,1-3H3
InChIKeyFLQYQRCMXWJFDM-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.65
Rot. Bonds3

About ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 59433428) has the molecular formula C27H34FN3O4 and a molecular weight of 483.58 g/mol. Its IUPAC name is ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID59433428
Molecular FormulaC27H34FN3O4
Molecular Weight483.58 g/mol
Exact Mass483.25
IUPAC Nameethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)c2cc(C)oc2C)c2ccc(F)cc23)CC1
InChIInChI=1S/C27H34FN3O4/c1-4-34-26(33)30-11-7-21(8-12-30)29-13-9-27(10-14-29)17-31(24-6-5-20(28)16-23(24)27)25(32)22-15-18(2)35-19(22)3/h5-6,15-16,21H,4,7-14,17H2,1-3H3
InChIKeyFLQYQRCMXWJFDM-UHFFFAOYSA-N
XLogP4.65
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[5-fluoro-1-(4-methoxybenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 11518875
oxolan-3-yl 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59613139
ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158827461
ethyl 4-[1-acetyl-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433542
ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433688
ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 11661869
propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433053
methyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)azepane-1-carboxylate
CID 59433877
2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433336
ethyl 4-[1-acetyl-5-(cyclopenten-1-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433776
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
1'-cyclopropyl-5-fluoro-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23994922

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 59433428) is ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)c2cc(C)oc2C)c2ccc(F)cc23)CC1.
What is the InChIKey of ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is FLQYQRCMXWJFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O4/c1-4-34-26(33)30-11-7-21(8-12-30)29-13-9-27(10-14-29)17-31(24-6-5-20(28)16-23(24)27)25(32)22-15-18(2)35-19(22)3/h5-6,15-16,21H,4,7-14,17H2,1-3H3.
What are the key properties of ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 483.58 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59433428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).