4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

C22H26N4O2 — CID 71657339

IUPAC4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C22H26N4O2/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/h2-8,15,19H,9-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyKXKYKKXNRALJNW-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.11
Rot. Bonds3

About 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 71657339) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID71657339
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C22H26N4O2/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/h2-8,15,19H,9-14H2,1H3,(H,23,27)(H,24,28)
InChIKeyKXKYKKXNRALJNW-UHFFFAOYSA-N
XLogP3.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide 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 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 71657339) is 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-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-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is KXKYKKXNRALJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/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/h2-8,15,19H,9-14H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71657339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).