2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

C16H20ClN3O3 — CID 120601411

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CC(NC(=O)CN2C(=O)c3ccccc3C2=O)CCN1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-10-8-11(6-7-17-10)18-14(20)9-19-15(21)12-4-2-3-5-13(12)16(19)22;/h2-5,10-11,17H,6-9H2,1H3,(H,18,20);1H
InChIKeyZPEQMNMIHYHVFW-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.96
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120601411) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120601411
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CC(NC(=O)CN2C(=O)c3ccccc3C2=O)CCN1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-10-8-11(6-7-17-10)18-14(20)9-19-15(21)12-4-2-3-5-13(12)16(19)22;/h2-5,10-11,17H,6-9H2,1H3,(H,18,20);1H
InChIKeyZPEQMNMIHYHVFW-UHFFFAOYSA-N
XLogP0.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120599363
trans-(1R,3R)-3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 97083300
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 71930321
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416
4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229704
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide
CID 120599144
N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 120602010
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120601411) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is CC1CC(NC(=O)CN2C(=O)c3ccccc3C2=O)CCN1.Cl.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is ZPEQMNMIHYHVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-10-8-11(6-7-17-10)18-14(20)9-19-15(21)12-4-2-3-5-13(12)16(19)22;/h2-5,10-11,17H,6-9H2,1H3,(H,18,20);1H.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120601411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).