2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide

C18H22N4O — CID 122298592

IUPAC2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2cnc(N3CCCCC3)nc2)c1
InChIInChI=1S/C18H22N4O/c1-14-6-5-7-15(10-14)11-17(23)21-16-12-19-18(20-13-16)22-8-3-2-4-9-22/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,21,23)
InChIKeyMJQRXWTVTAEQFA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide

2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide (PubChem CID 122298592) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
PubChem CID122298592
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2cnc(N3CCCCC3)nc2)c1
InChIInChI=1S/C18H22N4O/c1-14-6-5-7-15(10-14)11-17(23)21-16-12-19-18(20-13-16)22-8-3-2-4-9-22/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,21,23)
InChIKeyMJQRXWTVTAEQFA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356580
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113011160
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113015543
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide (CID 122298592) is 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide is Cc1cccc(CC(=O)Nc2cnc(N3CCCCC3)nc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is MJQRXWTVTAEQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-6-5-7-15(10-14)11-17(23)21-16-12-19-18(20-13-16)22-8-3-2-4-9-22/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,21,23).
What are the key properties of 2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.96, 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-(2-piperidin-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122298592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).