N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide

C17H28N4O — CID 72850778

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCCc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H28N4O/c1-4-21-9-6-15(7-10-21)12-17(22)18-8-5-16-19-13(2)11-14(3)20-16/h11,15H,4-10,12H2,1-3H3,(H,18,22)
InChIKeyJRJUNKOZHICPBG-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 72850778) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide
PubChem CID72850778
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCCc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H28N4O/c1-4-21-9-6-15(7-10-21)12-17(22)18-8-5-16-19-13(2)11-14(3)20-16/h11,15H,4-10,12H2,1-3H3,(H,18,22)
InChIKeyJRJUNKOZHICPBG-UHFFFAOYSA-N
XLogP1.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-methoxy-propyl)-amide
CID 648946
{[1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carbonyl]-amino}-acetic acid methyl ester
CID 649308
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide (CID 72850778) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(CC(=O)NCCc2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is JRJUNKOZHICPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-21-9-6-15(7-10-21)12-17(22)18-8-5-16-19-13(2)11-14(3)20-16/h11,15H,4-10,12H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72850778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).