2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide

C18H30N6O2 — CID 50964698

IUPAC2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2nccc(N3CCC(O)CC3)n2)CC1
InChIInChI=1S/C18H30N6O2/c1-14(2)20-17(26)13-22-9-11-24(12-10-22)18-19-6-3-16(21-18)23-7-4-15(25)5-8-23/h3,6,14-15,25H,4-5,7-13H2,1-2H3,(H,20,26)
InChIKeyAMWDJMSDQBCPKV-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.08
Rot. Bonds5

About 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 50964698) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID50964698
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2nccc(N3CCC(O)CC3)n2)CC1
InChIInChI=1S/C18H30N6O2/c1-14(2)20-17(26)13-22-9-11-24(12-10-22)18-19-6-3-16(21-18)23-7-4-15(25)5-8-23/h3,6,14-15,25H,4-5,7-13H2,1-2H3,(H,20,26)
InChIKeyAMWDJMSDQBCPKV-UHFFFAOYSA-N
XLogP0.08
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide 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 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 50964698) is 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(c2nccc(N3CCC(O)CC3)n2)CC1.
What is the InChIKey of 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is AMWDJMSDQBCPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-14(2)20-17(26)13-22-9-11-24(12-10-22)18-19-6-3-16(21-18)23-7-4-15(25)5-8-23/h3,6,14-15,25H,4-5,7-13H2,1-2H3,(H,20,26).
What are the key properties of 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 362.48 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 50964698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).