N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

C16H26N6O2 — CID 72899441

IUPACN-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(N)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H26N6O2/c1-12(23)18-11-13-2-4-21(5-3-13)15-10-14(17)19-16(20-15)22-6-8-24-9-7-22/h10,13H,2-9,11H2,1H3,(H,18,23)(H2,17,19,20)
InChIKeyIBDLGQOVXMQISV-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.25
Rot. Bonds4

About N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 72899441) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID72899441
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(N)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H26N6O2/c1-12(23)18-11-13-2-4-21(5-3-13)15-10-14(17)19-16(20-15)22-6-8-24-9-7-22/h10,13H,2-9,11H2,1H3,(H,18,23)(H2,17,19,20)
InChIKeyIBDLGQOVXMQISV-UHFFFAOYSA-N
XLogP0.25
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]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-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 72899441) is N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cc(N)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is IBDLGQOVXMQISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-12(23)18-11-13-2-4-21(5-3-13)15-10-14(17)19-16(20-15)22-6-8-24-9-7-22/h10,13H,2-9,11H2,1H3,(H,18,23)(H2,17,19,20).
What are the key properties of N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 72899441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).