ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen

C24H36FN3O4 — CID 158827461

IUPACethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)[C@@H](O)CC)c2ccc(F)cc23)CC1.[H][H]
InChIInChI=1S/C24H34FN3O4.H2/c1-3-21(29)22(30)28-16-24(19-15-17(25)5-6-20(19)28)9-13-26(14-10-24)18-7-11-27(12-8-18)23(31)32-4-2;/h5-6,15,18,21,29H,3-4,7-14,16H2,1-2H3;1H/t21-;/m0./s1
InChIKeyIWPYWTQOKIFZGR-BOXHHOBZSA-N
MW449.57 g/mol
LogP3.14
Rot. Bonds4

About ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen

ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 158827461) has the molecular formula C24H36FN3O4 and a molecular weight of 449.57 g/mol. Its IUPAC name is ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
PubChem CID158827461
Molecular FormulaC24H36FN3O4
Molecular Weight449.57 g/mol
Exact Mass449.27
IUPAC Nameethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)[C@@H](O)CC)c2ccc(F)cc23)CC1.[H][H]
InChIInChI=1S/C24H34FN3O4.H2/c1-3-21(29)22(30)28-16-24(19-15-17(25)5-6-20(19)28)9-13-26(14-10-24)18-7-11-27(12-8-18)23(31)32-4-2;/h5-6,15,18,21,29H,3-4,7-14,16H2,1-2H3;1H/t21-;/m0./s1
InChIKeyIWPYWTQOKIFZGR-BOXHHOBZSA-N
XLogP3.14
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen 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
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
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
ethyl 4-[1-acetyl-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433542
1'-[1-(2-cyanoacetyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;ethyl 4-(1-acetyl-7-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate;ethyl 4-[5-fluoro-1-[(2R)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 159639006
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
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The IUPAC name of ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen (CID 158827461) is ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen is CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)[C@@H](O)CC)c2ccc(F)cc23)CC1.[H][H].
What is the InChIKey of ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The InChIKey is IWPYWTQOKIFZGR-BOXHHOBZSA-N. The full InChI is InChI=1S/C24H34FN3O4.H2/c1-3-21(29)22(30)28-16-24(19-15-17(25)5-6-20(19)28)9-13-26(14-10-24)18-7-11-27(12-8-18)23(31)32-4-2;/h5-6,15,18,21,29H,3-4,7-14,16H2,1-2H3;1H/t21-;/m0./s1.
What are the key properties of ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 449.57 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 158827461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).