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

C16H22ClN3O3 — CID 90259250

IUPAC2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride
SMILESCNC(=O)CC1(O)C(=O)N(C2CCNCC2)c2ccccc21.Cl
InChIInChI=1S/C16H21N3O3.ClH/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);1H
InChIKeyKWDXYKCWBSSIGN-UHFFFAOYSA-N
MW339.82 g/mol
LogP0.53
Rot. Bonds3

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

2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride (PubChem CID 90259250) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride
PubChem CID90259250
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride
SMILESCNC(=O)CC1(O)C(=O)N(C2CCNCC2)c2ccccc21.Cl
InChIInChI=1S/C16H21N3O3.ClH/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);1H
InChIKeyKWDXYKCWBSSIGN-UHFFFAOYSA-N
XLogP0.53
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.53
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;hydrochloride?
The IUPAC name of 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride (CID 90259250) is 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride is CNC(=O)CC1(O)C(=O)N(C2CCNCC2)c2ccccc21.Cl.
What is the InChIKey of 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride?
The InChIKey is KWDXYKCWBSSIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/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);1H.
What are the key properties of 2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride?
2-(3-hydroxy-2-oxo-1-piperidin-4-ylindol-3-yl)-N-methylacetamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 0.53, 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;hydrochloride is sourced from PubChem (CID 90259250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).