Skip to content

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

C24H36FN3O4 — CID 158827461

Data last refreshed: (MolForge compound catalog, from PubChem)

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.