ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate

C34H43FN4O3 — CID 18713515

IUPACethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate
SMILESCCOC(=O)NCCCn1ccc2cccc(C(=O)N3C[C@@H](CN4CCC(c5ccc(F)cc5)CC4)[C@H](C4CC4)C3)c21
InChIInChI=1S/C34H43FN4O3/c1-2-42-34(41)36-16-4-17-38-20-15-27-5-3-6-30(32(27)38)33(40)39-22-28(31(23-39)26-7-8-26)21-37-18-13-25(14-19-37)24-9-11-29(35)12-10-24/h3,5-6,9-12,15,20,25-26,28,31H,2,4,7-8,13-14,16-19,21-23H2,1H3,(H,36,41)/t28-,31+/m1/s1
InChIKeyOWAAQAAIBGTZJQ-MVSFAKPFSA-N
MW574.74 g/mol
LogP5.89
Rot. Bonds10

About ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate

ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate (PubChem CID 18713515) has the molecular formula C34H43FN4O3 and a molecular weight of 574.74 g/mol. Its IUPAC name is ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate
PubChem CID18713515
Molecular FormulaC34H43FN4O3
Molecular Weight574.74 g/mol
Exact Mass574.33
IUPAC Nameethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate
SMILESCCOC(=O)NCCCn1ccc2cccc(C(=O)N3C[C@@H](CN4CCC(c5ccc(F)cc5)CC4)[C@H](C4CC4)C3)c21
InChIInChI=1S/C34H43FN4O3/c1-2-42-34(41)36-16-4-17-38-20-15-27-5-3-6-30(32(27)38)33(40)39-22-28(31(23-39)26-7-8-26)21-37-18-13-25(14-19-37)24-9-11-29(35)12-10-24/h3,5-6,9-12,15,20,25-26,28,31H,2,4,7-8,13-14,16-19,21-23H2,1H3,(H,36,41)/t28-,31+/m1/s1
InChIKeyOWAAQAAIBGTZJQ-MVSFAKPFSA-N
XLogP5.89
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.74
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate 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 N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate?
The IUPAC name of ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate (CID 18713515) is ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate.
What is the SMILES notation for ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate?
The canonical SMILES for ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate is CCOC(=O)NCCCn1ccc2cccc(C(=O)N3C[C@@H](CN4CCC(c5ccc(F)cc5)CC4)[C@H](C4CC4)C3)c21.
What is the InChIKey of ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate?
The InChIKey is OWAAQAAIBGTZJQ-MVSFAKPFSA-N. The full InChI is InChI=1S/C34H43FN4O3/c1-2-42-34(41)36-16-4-17-38-20-15-27-5-3-6-30(32(27)38)33(40)39-22-28(31(23-39)26-7-8-26)21-37-18-13-25(14-19-37)24-9-11-29(35)12-10-24/h3,5-6,9-12,15,20,25-26,28,31H,2,4,7-8,13-14,16-19,21-23H2,1H3,(H,36,41)/t28-,31+/m1/s1.
What are the key properties of ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate?
ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate has a molecular weight of 574.74 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate is sourced from PubChem (CID 18713515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).