ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate

C31H34FN3O7 — CID 10196718

IUPACethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate
SMILESCCOC(=O)n1cc(C(=O)C(=O)N2CCOCC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21
InChIInChI=1S/C31H34FN3O7/c1-3-42-31(39)35-19-25(28(36)30(38)34-12-14-41-15-13-34)23-17-24(27(40-2)18-26(23)35)29(37)33-10-8-21(9-11-33)16-20-4-6-22(32)7-5-20/h4-7,17-19,21H,3,8-16H2,1-2H3
InChIKeyPVEBZEBIPDJTCZ-UHFFFAOYSA-N
MW579.63 g/mol
LogP3.93
Rot. Bonds7

About ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate

ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate (PubChem CID 10196718) has the molecular formula C31H34FN3O7 and a molecular weight of 579.63 g/mol. Its IUPAC name is ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate
PubChem CID10196718
Molecular FormulaC31H34FN3O7
Molecular Weight579.63 g/mol
Exact Mass579.24
IUPAC Nameethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate
SMILESCCOC(=O)n1cc(C(=O)C(=O)N2CCOCC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21
InChIInChI=1S/C31H34FN3O7/c1-3-42-31(39)35-19-25(28(36)30(38)34-12-14-41-15-13-34)23-17-24(27(40-2)18-26(23)35)29(37)33-10-8-21(9-11-33)16-20-4-6-22(32)7-5-20/h4-7,17-19,21H,3,8-16H2,1-2H3
InChIKeyPVEBZEBIPDJTCZ-UHFFFAOYSA-N
XLogP3.93
TPSA107.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.63
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate 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 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate?
The IUPAC name of ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate (CID 10196718) is ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate.
What is the SMILES notation for ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate?
The canonical SMILES for ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate is CCOC(=O)n1cc(C(=O)C(=O)N2CCOCC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.
What is the InChIKey of ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate?
The InChIKey is PVEBZEBIPDJTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN3O7/c1-3-42-31(39)35-19-25(28(36)30(38)34-12-14-41-15-13-34)23-17-24(27(40-2)18-26(23)35)29(37)33-10-8-21(9-11-33)16-20-4-6-22(32)7-5-20/h4-7,17-19,21H,3,8-16H2,1-2H3.
What are the key properties of ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate?
ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate has a molecular weight of 579.63 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-morpholin-4-yl-2-oxoacetyl)indole-1-carboxylate is sourced from PubChem (CID 10196718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).