2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide

C17H23N3O2 — CID 18582282

IUPAC2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCCCC2CCO)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-19-12-15(14-7-2-3-8-16(14)19)18-17(22)20-10-5-4-6-13(20)9-11-21/h2-3,7-8,12-13,21H,4-6,9-11H2,1H3,(H,18,22)
InChIKeyXDYKITYPFIYRTJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide

2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide (PubChem CID 18582282) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide
PubChem CID18582282
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCCCC2CCO)c2ccccc21
InChIInChI=1S/C17H23N3O2/c1-19-12-15(14-7-2-3-8-16(14)19)18-17(22)20-10-5-4-6-13(20)9-11-21/h2-3,7-8,12-13,21H,4-6,9-11H2,1H3,(H,18,22)
InChIKeyXDYKITYPFIYRTJ-UHFFFAOYSA-N
XLogP2.95
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide (CID 18582282) is 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide is Cn1cc(NC(=O)N2CCCCC2CCO)c2ccccc21.
What is the InChIKey of 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide?
The InChIKey is XDYKITYPFIYRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-12-15(14-7-2-3-8-16(14)19)18-17(22)20-10-5-4-6-13(20)9-11-21/h2-3,7-8,12-13,21H,4-6,9-11H2,1H3,(H,18,22).
What are the key properties of 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide?
2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-(1-methylindol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 18582282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).