ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

C24H30FN5O2 — CID 59433688

IUPACethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(c2ncccn2)c2ccc(F)cc23)CC1
InChIInChI=1S/C24H30FN5O2/c1-2-32-23(31)29-12-6-19(7-13-29)28-14-8-24(9-15-28)17-30(22-26-10-3-11-27-22)21-5-4-18(25)16-20(21)24/h3-5,10-11,16,19H,2,6-9,12-15,17H2,1H3
InChIKeyRGDIFMDWDIKUBY-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.72
Rot. Bonds3

About ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 59433688) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID59433688
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Nameethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(c2ncccn2)c2ccc(F)cc23)CC1
InChIInChI=1S/C24H30FN5O2/c1-2-32-23(31)29-12-6-19(7-13-29)28-14-8-24(9-15-28)17-30(22-26-10-3-11-27-22)21-5-4-18(25)16-20(21)24/h3-5,10-11,16,19H,2,6-9,12-15,17H2,1H3
InChIKeyRGDIFMDWDIKUBY-UHFFFAOYSA-N
XLogP3.72
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

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-[5-fluoro-1-(4-methoxybenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 11518875
ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433428
oxolan-3-yl 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59613139
2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433336
methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 89344844
ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 11661869
ethyl 4-[1-acetyl-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433542
methyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)azepane-1-carboxylate
CID 59433877
propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433053
5-fluoro-N,N-dimethyl-1'-[1-(pyridine-2-carbonyl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433574
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 59433688) is ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC2)CN(c2ncccn2)c2ccc(F)cc23)CC1.
What is the InChIKey of ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is RGDIFMDWDIKUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-2-32-23(31)29-12-6-19(7-13-29)28-14-8-24(9-15-28)17-30(22-26-10-3-11-27-22)21-5-4-18(25)16-20(21)24/h3-5,10-11,16,19H,2,6-9,12-15,17H2,1H3.
What are the key properties of ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 439.54 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoro-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59433688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).