N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide

C16H21N3O3 — CID 51098486

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-11-2-4-12(5-3-11)15(21)16(22)18-13-6-8-19(9-7-13)10-14(17)20/h2-5,13H,6-10H2,1H3,(H2,17,20)(H,18,22)
InChIKeyQJXCPLLJNIQDCU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.24
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 51098486) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID51098486
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-11-2-4-12(5-3-11)15(21)16(22)18-13-6-8-19(9-7-13)10-14(17)20/h2-5,13H,6-10H2,1H3,(H2,17,20)(H,18,22)
InChIKeyQJXCPLLJNIQDCU-UHFFFAOYSA-N
XLogP0.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
tert-butyl 4-[[2-(4-methylphenyl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 51093785
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 51079604
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyclohexylbenzamide
CID 46687376
2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide
CID 56797547
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 63626996
tert-butyl N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771205

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide (CID 51098486) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NC2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is QJXCPLLJNIQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-2-4-12(5-3-11)15(21)16(22)18-13-6-8-19(9-7-13)10-14(17)20/h2-5,13H,6-10H2,1H3,(H2,17,20)(H,18,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 51098486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).