3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C18H22N4O — CID 110712544

IUPAC3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C18H22N4O/c1-13-4-5-15(12-14(13)2)17(23)21-16-6-10-22(11-7-16)18-19-8-3-9-20-18/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyCQERRUJBNNDTIF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.49
Rot. Bonds3

About 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 110712544) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID110712544
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1C
InChIInChI=1S/C18H22N4O/c1-13-4-5-15(12-14(13)2)17(23)21-16-6-10-22(11-7-16)18-19-8-3-9-20-18/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyCQERRUJBNNDTIF-UHFFFAOYSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 47061398
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55721169
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55721603
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 110712544) is 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is Cc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is CQERRUJBNNDTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-4-5-15(12-14(13)2)17(23)21-16-6-10-22(11-7-16)18-19-8-3-9-20-18/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3,(H,21,23).
What are the key properties of 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110712544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).