2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

C18H30N6O2 — CID 53189403

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCN3CCOCC3)CC2)n1
InChIInChI=1S/C18H30N6O2/c1-19-18-21-5-2-16(22-18)24-7-3-15(4-8-24)14-17(25)20-6-9-23-10-12-26-13-11-23/h2,5,15H,3-4,6-14H2,1H3,(H,20,25)(H,19,21,22)
InChIKeyFIZFXSJIBNIQCL-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.57
Rot. Bonds7

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 53189403) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID53189403
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCN3CCOCC3)CC2)n1
InChIInChI=1S/C18H30N6O2/c1-19-18-21-5-2-16(22-18)24-7-3-15(4-8-24)14-17(25)20-6-9-23-10-12-26-13-11-23/h2,5,15H,3-4,6-14H2,1H3,(H,20,25)(H,19,21,22)
InChIKeyFIZFXSJIBNIQCL-UHFFFAOYSA-N
XLogP0.57
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide 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-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 53189403) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is CNc1nccc(N2CCC(CC(=O)NCCN3CCOCC3)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is FIZFXSJIBNIQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-19-18-21-5-2-16(22-18)24-7-3-15(4-8-24)14-17(25)20-6-9-23-10-12-26-13-11-23/h2,5,15H,3-4,6-14H2,1H3,(H,20,25)(H,19,21,22).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 362.48 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 53189403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).