N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide

C28H34FN3O4 — CID 71148719

IUPACN-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide
SMILESCCN(C)C(=O)C(=O)C1CN(C)c2cc(OC)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C28H34FN3O4/c1-5-30(2)28(35)26(33)23-17-31(3)24-16-25(36-4)22(15-21(23)24)27(34)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18/h6-9,15-16,19,23H,5,10-14,17H2,1-4H3
InChIKeyMWZYFLNDDXHLQZ-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide

N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide (PubChem CID 71148719) has the molecular formula C28H34FN3O4 and a molecular weight of 495.60 g/mol. Its IUPAC name is N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide
PubChem CID71148719
Molecular FormulaC28H34FN3O4
Molecular Weight495.60 g/mol
Exact Mass495.25
IUPAC NameN-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide
SMILESCCN(C)C(=O)C(=O)C1CN(C)c2cc(OC)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C28H34FN3O4/c1-5-30(2)28(35)26(33)23-17-31(3)24-16-25(36-4)22(15-21(23)24)27(34)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18/h6-9,15-16,19,23H,5,10-14,17H2,1-4H3
InChIKeyMWZYFLNDDXHLQZ-UHFFFAOYSA-N
XLogP3.51
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide 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 N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide (CID 71148719) is N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide is CCN(C)C(=O)C(=O)C1CN(C)c2cc(OC)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc21.
What is the InChIKey of N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide?
The InChIKey is MWZYFLNDDXHLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O4/c1-5-30(2)28(35)26(33)23-17-31(3)24-16-25(36-4)22(15-21(23)24)27(34)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18/h6-9,15-16,19,23H,5,10-14,17H2,1-4H3.
What are the key properties of N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide?
N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide has a molecular weight of 495.60 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 71148719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).