1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide

C24H26FN3O2 — CID 45194300

IUPAC1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)C1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C24H26FN3O2/c25-21-7-3-5-18(15-21)16-28-17-20(9-10-23(28)29)24(30)26-12-4-13-27-14-11-19-6-1-2-8-22(19)27/h1-3,5-8,11,14-15,20H,4,9-10,12-13,16-17H2,(H,26,30)
InChIKeyMXZGWIHFAREQJD-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.73
Rot. Bonds7

About 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45194300) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID45194300
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)C1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C24H26FN3O2/c25-21-7-3-5-18(15-21)16-28-17-20(9-10-23(28)29)24(30)26-12-4-13-27-14-11-19-6-1-2-8-22(19)27/h1-3,5-8,11,14-15,20H,4,9-10,12-13,16-17H2,(H,26,30)
InChIKeyMXZGWIHFAREQJD-UHFFFAOYSA-N
XLogP3.73
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56701349
(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 95199974
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
(3R)-N-(2-ethoxyethyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42463392
(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-(3-imidazol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 42511476
(3S)-N-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25485620
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 45197099
(3R)-1-[(3-fluorophenyl)methyl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxopiperidine-3-carboxamide
CID 25385170
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25371700
(3R)-N-(1-benzothiophen-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26333823

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 45194300) is 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide is O=C(NCCCn1ccc2ccccc21)C1CCC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MXZGWIHFAREQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-21-7-3-5-18(15-21)16-28-17-20(9-10-23(28)29)24(30)26-12-4-13-27-14-11-19-6-1-2-8-22(19)27/h1-3,5-8,11,14-15,20H,4,9-10,12-13,16-17H2,(H,26,30).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45194300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).