1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone

C17H25N5O3 — CID 166445399

IUPAC1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cnc(N3CCN(C(C)=O)CC3)nc2)CC1
InChIInChI=1S/C17H25N5O3/c1-13(23)20-5-3-15(4-6-20)25-16-11-18-17(19-12-16)22-9-7-21(8-10-22)14(2)24/h11-12,15H,3-10H2,1-2H3
InChIKeySXBSGOMWFUVVDV-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.53
Rot. Bonds3

About 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone

1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone (PubChem CID 166445399) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone
PubChem CID166445399
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cnc(N3CCN(C(C)=O)CC3)nc2)CC1
InChIInChI=1S/C17H25N5O3/c1-13(23)20-5-3-15(4-6-20)25-16-11-18-17(19-12-16)22-9-7-21(8-10-22)14(2)24/h11-12,15H,3-10H2,1-2H3
InChIKeySXBSGOMWFUVVDV-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone (CID 166445399) is 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2cnc(N3CCN(C(C)=O)CC3)nc2)CC1.
What is the InChIKey of 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone?
The InChIKey is SXBSGOMWFUVVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13(23)20-5-3-15(4-6-20)25-16-11-18-17(19-12-16)22-9-7-21(8-10-22)14(2)24/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone?
1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone has a molecular weight of 347.42 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 166445399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).