4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one

C18H25N5O3 — CID 110090634

IUPAC4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one
SMILESCC(=O)N1CCC(C)(c2cc(C(=O)N3CCNC(=O)C3)nc(C)n2)CC1
InChIInChI=1S/C18H25N5O3/c1-12-20-14(17(26)23-9-6-19-16(25)11-23)10-15(21-12)18(3)4-7-22(8-5-18)13(2)24/h10H,4-9,11H2,1-3H3,(H,19,25)
InChIKeyZKDUHUWZTURYOA-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.26
Rot. Bonds2

About 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one

4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one (PubChem CID 110090634) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one
PubChem CID110090634
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one
SMILESCC(=O)N1CCC(C)(c2cc(C(=O)N3CCNC(=O)C3)nc(C)n2)CC1
InChIInChI=1S/C18H25N5O3/c1-12-20-14(17(26)23-9-6-19-16(25)11-23)10-15(21-12)18(3)4-7-22(8-5-18)13(2)24/h10H,4-9,11H2,1-3H3,(H,19,25)
InChIKeyZKDUHUWZTURYOA-UHFFFAOYSA-N
XLogP0.26
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one?
The IUPAC name of 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one (CID 110090634) is 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one is CC(=O)N1CCC(C)(c2cc(C(=O)N3CCNC(=O)C3)nc(C)n2)CC1.
What is the InChIKey of 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one?
The InChIKey is ZKDUHUWZTURYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-20-14(17(26)23-9-6-19-16(25)11-23)10-15(21-12)18(3)4-7-22(8-5-18)13(2)24/h10H,4-9,11H2,1-3H3,(H,19,25).
What are the key properties of 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one?
4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one has a molecular weight of 359.43 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-acetyl-4-methylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 110090634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).