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

C17H27N5O2 — CID 56908006

IUPACN-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C17H27N5O2/c1-13-19-15(11-16(20-13)22-7-9-24-10-8-22)14-3-5-21(6-4-14)12-17(23)18-2/h11,14H,3-10,12H2,1-2H3,(H,18,23)
InChIKeyQIVHPTKIPCETEX-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.55
Rot. Bonds4

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

N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide (PubChem CID 56908006) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
PubChem CID56908006
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C17H27N5O2/c1-13-19-15(11-16(20-13)22-7-9-24-10-8-22)14-3-5-21(6-4-14)12-17(23)18-2/h11,14H,3-10,12H2,1-2H3,(H,18,23)
InChIKeyQIVHPTKIPCETEX-UHFFFAOYSA-N
XLogP0.55
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide (CID 56908006) is N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide is CNC(=O)CN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The InChIKey is QIVHPTKIPCETEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-19-15(11-16(20-13)22-7-9-24-10-8-22)14-3-5-21(6-4-14)12-17(23)18-2/h11,14H,3-10,12H2,1-2H3,(H,18,23).
What are the key properties of N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56908006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).