2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C19H31N5O3 — CID 53189314

IUPAC2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCCCN3CCOCC3)CC2)n1
InChIInChI=1S/C19H31N5O3/c1-26-19-21-7-3-17(22-19)24-9-4-16(5-10-24)15-18(25)20-6-2-8-23-11-13-27-14-12-23/h3,7,16H,2,4-6,8-15H2,1H3,(H,20,25)
InChIKeyZMXSQQLFFHJRCJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.93
Rot. Bonds8

About 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 53189314) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID53189314
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCCCN3CCOCC3)CC2)n1
InChIInChI=1S/C19H31N5O3/c1-26-19-21-7-3-17(22-19)24-9-4-16(5-10-24)15-18(25)20-6-2-8-23-11-13-27-14-12-23/h3,7,16H,2,4-6,8-15H2,1H3,(H,20,25)
InChIKeyZMXSQQLFFHJRCJ-UHFFFAOYSA-N
XLogP0.93
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 53189314) is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is COc1nccc(N2CCC(CC(=O)NCCCN3CCOCC3)CC2)n1.
What is the InChIKey of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is ZMXSQQLFFHJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-26-19-21-7-3-17(22-19)24-9-4-16(5-10-24)15-18(25)20-6-2-8-23-11-13-27-14-12-23/h3,7,16H,2,4-6,8-15H2,1H3,(H,20,25).
What are the key properties of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 53189314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).