2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide

C18H26ClN3O2 — CID 108507723

IUPAC2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide
SMILESCC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN3O2/c1-17(2)9-14(20)10-18(3,4)22(17)16(24)15(23)21-11-12-5-7-13(19)8-6-12/h5-8,14H,9-11,20H2,1-4H3,(H,21,23)
InChIKeyTVVWFLZCQVTCTC-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.46
Rot. Bonds2

About 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide

2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide (PubChem CID 108507723) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide
PubChem CID108507723
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide
SMILESCC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN3O2/c1-17(2)9-14(20)10-18(3,4)22(17)16(24)15(23)21-11-12-5-7-13(19)8-6-12/h5-8,14H,9-11,20H2,1-4H3,(H,21,23)
InChIKeyTVVWFLZCQVTCTC-UHFFFAOYSA-N
XLogP2.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-benzyl-2-oxoacetamide
CID 108508905
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide
CID 108522557
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108507737
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-methyl-2-oxoacetamide
CID 108522425
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-oxoacetamide
CID 108522545
2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 143534817
ethyl 1-[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]piperidine-4-carboxylate
CID 44995824
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide
CID 70559850

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide (CID 108507723) is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide is CC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide?
The InChIKey is TVVWFLZCQVTCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-17(2)9-14(20)10-18(3,4)22(17)16(24)15(23)21-11-12-5-7-13(19)8-6-12/h5-8,14H,9-11,20H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide?
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide has a molecular weight of 351.88 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 108507723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).