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

C15H25N5O2 — CID 53189344

IUPACN-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCOC)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-16-15-18-6-3-13(19-15)20-8-4-12(5-9-20)11-14(21)17-7-10-22-2/h3,6,12H,4-5,7-11H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyJBZCGPOWYRJOCU-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.89
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 53189344) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID53189344
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCOC)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-16-15-18-6-3-13(19-15)20-8-4-12(5-9-20)11-14(21)17-7-10-22-2/h3,6,12H,4-5,7-11H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyJBZCGPOWYRJOCU-UHFFFAOYSA-N
XLogP0.89
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]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 N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 53189344) is N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CNc1nccc(N2CCC(CC(=O)NCCOC)CC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is JBZCGPOWYRJOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-16-15-18-6-3-13(19-15)20-8-4-12(5-9-20)11-14(21)17-7-10-22-2/h3,6,12H,4-5,7-11H2,1-2H3,(H,17,21)(H,16,18,19).
What are the key properties of N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 307.40 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53189344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).