2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide

C14H22N4O2 — CID 134160440

IUPAC2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide
SMILESCc1ncnc(OCC2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C14H22N4O2/c1-10-11(2)16-9-17-14(10)20-8-12-3-5-18(6-4-12)7-13(15)19/h9,12H,3-8H2,1-2H3,(H2,15,19)
InChIKeyVVSVKMXXIWOSLN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.67
Rot. Bonds5

About 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide

2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide (PubChem CID 134160440) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide
PubChem CID134160440
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide
SMILESCc1ncnc(OCC2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C14H22N4O2/c1-10-11(2)16-9-17-14(10)20-8-12-3-5-18(6-4-12)7-13(15)19/h9,12H,3-8H2,1-2H3,(H2,15,19)
InChIKeyVVSVKMXXIWOSLN-UHFFFAOYSA-N
XLogP0.67
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide (CID 134160440) is 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide is Cc1ncnc(OCC2CCN(CC(N)=O)CC2)c1C.
What is the InChIKey of 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide?
The InChIKey is VVSVKMXXIWOSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-11(2)16-9-17-14(10)20-8-12-3-5-18(6-4-12)7-13(15)19/h9,12H,3-8H2,1-2H3,(H2,15,19).
What are the key properties of 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide?
2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 134160440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).