2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide

C20H26N4O2 — CID 173379487

IUPAC2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide
SMILESCC(C)Oc1cc(N2CCC(c3ccc(CC(N)=O)cc3)CC2)ncn1
InChIInChI=1S/C20H26N4O2/c1-14(2)26-20-12-19(22-13-23-20)24-9-7-17(8-10-24)16-5-3-15(4-6-16)11-18(21)25/h3-6,12-14,17H,7-11H2,1-2H3,(H2,21,25)
InChIKeyQSBYQWGIOSPSMV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.68
Rot. Bonds6

About 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide

2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide (PubChem CID 173379487) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide
PubChem CID173379487
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide
SMILESCC(C)Oc1cc(N2CCC(c3ccc(CC(N)=O)cc3)CC2)ncn1
InChIInChI=1S/C20H26N4O2/c1-14(2)26-20-12-19(22-13-23-20)24-9-7-17(8-10-24)16-5-3-15(4-6-16)11-18(21)25/h3-6,12-14,17H,7-11H2,1-2H3,(H2,21,25)
InChIKeyQSBYQWGIOSPSMV-UHFFFAOYSA-N
XLogP2.68
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide (CID 173379487) is 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide is CC(C)Oc1cc(N2CCC(c3ccc(CC(N)=O)cc3)CC2)ncn1.
What is the InChIKey of 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide?
The InChIKey is QSBYQWGIOSPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)26-20-12-19(22-13-23-20)24-9-7-17(8-10-24)16-5-3-15(4-6-16)11-18(21)25/h3-6,12-14,17H,7-11H2,1-2H3,(H2,21,25).
What are the key properties of 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide?
2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 173379487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).