2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C18H22N4O — CID 110712574

IUPAC2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H22N4O/c1-14-4-2-5-15(12-14)13-17(23)21-16-6-10-22(11-7-16)18-19-8-3-9-20-18/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,21,23)
InChIKeyQXQKGHCYRUVEGI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 110712574) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID110712574
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H22N4O/c1-14-4-2-5-15(12-14)13-17(23)21-16-6-10-22(11-7-16)18-19-8-3-9-20-18/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,21,23)
InChIKeyQXQKGHCYRUVEGI-UHFFFAOYSA-N
XLogP2.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705373
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705364
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 51115668
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705543
3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 47061398

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 110712574) is 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is Cc1cccc(CC(=O)NC2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is QXQKGHCYRUVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-4-2-5-15(12-14)13-17(23)21-16-6-10-22(11-7-16)18-19-8-3-9-20-18/h2-5,8-9,12,16H,6-7,10-11,13H2,1H3,(H,21,23).
What are the key properties of 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 110712574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).