1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide

C17H23N3O2 — CID 5296277

IUPAC1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C17H23N3O2/c1-12-10-14-4-2-3-5-15(14)20(12)16(21)11-19-8-6-13(7-9-19)17(18)22/h2-5,12-13H,6-11H2,1H3,(H2,18,22)
InChIKeyCRWMQIPNGJYHCS-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.16
Rot. Bonds3

About 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 5296277) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID5296277
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C17H23N3O2/c1-12-10-14-4-2-3-5-15(14)20(12)16(21)11-19-8-6-13(7-9-19)17(18)22/h2-5,12-13H,6-11H2,1H3,(H2,18,22)
InChIKeyCRWMQIPNGJYHCS-UHFFFAOYSA-N
XLogP1.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide (CID 5296277) is 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide is CC1Cc2ccccc2N1C(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is CRWMQIPNGJYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-10-14-4-2-3-5-15(14)20(12)16(21)11-19-8-6-13(7-9-19)17(18)22/h2-5,12-13H,6-11H2,1H3,(H2,18,22).
What are the key properties of 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 5296277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).