2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide

C23H32N4O — CID 110246294

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide
SMILESCc1cc(C)nc(N2CCC(CC(=O)N(C)CC(C)c3ccccc3)CC2)n1
InChIInChI=1S/C23H32N4O/c1-17(21-8-6-5-7-9-21)16-26(4)22(28)15-20-10-12-27(13-11-20)23-24-18(2)14-19(3)25-23/h5-9,14,17,20H,10-13,15-16H2,1-4H3
InChIKeyOOMBPVZLUOBTAH-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.96
Rot. Bonds6

About 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide

2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide (PubChem CID 110246294) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide
PubChem CID110246294
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide
SMILESCc1cc(C)nc(N2CCC(CC(=O)N(C)CC(C)c3ccccc3)CC2)n1
InChIInChI=1S/C23H32N4O/c1-17(21-8-6-5-7-9-21)16-26(4)22(28)15-20-10-12-27(13-11-20)23-24-18(2)14-19(3)25-23/h5-9,14,17,20H,10-13,15-16H2,1-4H3
InChIKeyOOMBPVZLUOBTAH-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide (CID 110246294) is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide is Cc1cc(C)nc(N2CCC(CC(=O)N(C)CC(C)c3ccccc3)CC2)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide?
The InChIKey is OOMBPVZLUOBTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-17(21-8-6-5-7-9-21)16-26(4)22(28)15-20-10-12-27(13-11-20)23-24-18(2)14-19(3)25-23/h5-9,14,17,20H,10-13,15-16H2,1-4H3.
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide?
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide has a molecular weight of 380.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 110246294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).