2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride

C17H23ClN4O3 — CID 119919466

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-18-12-4-3-7-21(9-12)10-15(22)19-11-5-6-13-14(8-11)17(24)20(2)16(13)23;/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,19,22);1H
InChIKeyWQYQNULGUQSTNK-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.96
Rot. Bonds4

About 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride

2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride (PubChem CID 119919466) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
PubChem CID119919466
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-18-12-4-3-7-21(9-12)10-15(22)19-11-5-6-13-14(8-11)17(24)20(2)16(13)23;/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,19,22);1H
InChIKeyWQYQNULGUQSTNK-UHFFFAOYSA-N
XLogP0.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 119908193
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 120775993
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55551245
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 60661183
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60841920

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride (CID 119919466) is 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride is CNC1CCCN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1.Cl.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride?
The InChIKey is WQYQNULGUQSTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-18-12-4-3-7-21(9-12)10-15(22)19-11-5-6-13-14(8-11)17(24)20(2)16(13)23;/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,19,22);1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride?
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 119919466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).