2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide

C16H21N3O3 — CID 90259251

IUPAC2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide
SMILESCNC(=O)CC1(O)C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-17-14(20)10-16(22)12-4-2-3-5-13(12)19(15(16)21)11-6-8-18-9-7-11/h2-5,11,18,22H,6-10H2,1H3,(H,17,20)
InChIKeyPTPMUGBQRPHZKI-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.11
Rot. Bonds3

About 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide

2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide (PubChem CID 90259251) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide
PubChem CID90259251
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide
SMILESCNC(=O)CC1(O)C(=O)N(C2CCNCC2)c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-17-14(20)10-16(22)12-4-2-3-5-13(12)19(15(16)21)11-6-8-18-9-7-11/h2-5,11,18,22H,6-10H2,1H3,(H,17,20)
InChIKeyPTPMUGBQRPHZKI-UHFFFAOYSA-N
XLogP0.11
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide (CID 90259251) is 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide is CNC(=O)CC1(O)C(=O)N(C2CCNCC2)c2ccccc21.
What is the InChIKey of 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide?
The InChIKey is PTPMUGBQRPHZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-17-14(20)10-16(22)12-4-2-3-5-13(12)19(15(16)21)11-6-8-18-9-7-11/h2-5,11,18,22H,6-10H2,1H3,(H,17,20).
What are the key properties of 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide?
2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide is sourced from PubChem (CID 90259251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).