4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

C22H24N4O2 — CID 71657338

IUPAC4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(n3ccc4ccccc43)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-23-21(27)17-6-4-7-18(15-17)24-22(28)25-12-10-19(11-13-25)26-14-9-16-5-2-3-8-20(16)26/h2-9,14-15,19H,10-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyASWMDAIKAURGCE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.87
Rot. Bonds3

About 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 71657338) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID71657338
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(n3ccc4ccccc43)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-23-21(27)17-6-4-7-18(15-17)24-22(28)25-12-10-19(11-13-25)26-14-9-16-5-2-3-8-20(16)26/h2-9,14-15,19H,10-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyASWMDAIKAURGCE-UHFFFAOYSA-N
XLogP3.87
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 71657338) is 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCC(n3ccc4ccccc43)CC2)c1.
What is the InChIKey of 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is ASWMDAIKAURGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-23-21(27)17-6-4-7-18(15-17)24-22(28)25-12-10-19(11-13-25)26-14-9-16-5-2-3-8-20(16)26/h2-9,14-15,19H,10-13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71657338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).