2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride

C14H20ClN3O2 — CID 119336545

IUPAC2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
SMILESCc1ccc(N2CCCC(NC(=O)CN)C2=O)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-4-6-11(7-5-10)17-8-2-3-12(14(17)19)16-13(18)9-15;/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,18);1H
InChIKeyLGPHTXKLUHLFFZ-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.99
Rot. Bonds3

About 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride

2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride (PubChem CID 119336545) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
PubChem CID119336545
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
SMILESCc1ccc(N2CCCC(NC(=O)CN)C2=O)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-4-6-11(7-5-10)17-8-2-3-12(14(17)19)16-13(18)9-15;/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,18);1H
InChIKeyLGPHTXKLUHLFFZ-UHFFFAOYSA-N
XLogP0.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
CID 119806345
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119802718
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991016
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
CID 119336564
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 120611290
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 23394255
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride (CID 119336545) is 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride is Cc1ccc(N2CCCC(NC(=O)CN)C2=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride?
The InChIKey is LGPHTXKLUHLFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10-4-6-11(7-5-10)17-8-2-3-12(14(17)19)16-13(18)9-15;/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride?
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119336545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).