N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

C25H29N3O2 — CID 56701349

IUPACN-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C25H29N3O2/c29-24-12-11-22(19-28(24)17-13-20-7-2-1-3-8-20)25(30)26-15-6-16-27-18-14-21-9-4-5-10-23(21)27/h1-5,7-10,14,18,22H,6,11-13,15-17,19H2,(H,26,30)
InChIKeyZJAPDQLWRRGRPA-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.63
Rot. Bonds8

About N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 56701349) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID56701349
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1ccc2ccccc21)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C25H29N3O2/c29-24-12-11-22(19-28(24)17-13-20-7-2-1-3-8-20)25(30)26-15-6-16-27-18-14-21-9-4-5-10-23(21)27/h1-5,7-10,14,18,22H,6,11-13,15-17,19H2,(H,26,30)
InChIKeyZJAPDQLWRRGRPA-UHFFFAOYSA-N
XLogP3.63
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.63
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

1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 45194300
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51273849
N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72920179
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
N-(3-indazol-1-ylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45171237
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 6624412
N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790154
(3S)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 136748649

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (CID 56701349) is N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCCn1ccc2ccccc21)C1CCC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is ZJAPDQLWRRGRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-24-12-11-22(19-28(24)17-13-20-7-2-1-3-8-20)25(30)26-15-6-16-27-18-14-21-9-4-5-10-23(21)27/h1-5,7-10,14,18,22H,6,11-13,15-17,19H2,(H,26,30).
What are the key properties of N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56701349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).