1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone

C22H36N6O — CID 133293927

IUPAC1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(c3cc(N4CCCCC4)ncn3)CC2)CC1
InChIInChI=1S/C22H36N6O/c1-2-25-12-14-28(15-13-25)22(29)16-19-6-10-27(11-7-19)21-17-20(23-18-24-21)26-8-4-3-5-9-26/h17-19H,2-16H2,1H3
InChIKeyUVSLIXPFWCMGFJ-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone (PubChem CID 133293927) has the molecular formula C22H36N6O and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
PubChem CID133293927
Molecular FormulaC22H36N6O
Molecular Weight400.57 g/mol
Exact Mass400.30
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(c3cc(N4CCCCC4)ncn3)CC2)CC1
InChIInChI=1S/C22H36N6O/c1-2-25-12-14-28(15-13-25)22(29)16-19-6-10-27(11-7-19)21-17-20(23-18-24-21)26-8-4-3-5-9-26/h17-19H,2-16H2,1H3
InChIKeyUVSLIXPFWCMGFJ-UHFFFAOYSA-N
XLogP2.24
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone (CID 133293927) is 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone is CCN1CCN(C(=O)CC2CCN(c3cc(N4CCCCC4)ncn3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone?
The InChIKey is UVSLIXPFWCMGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O/c1-2-25-12-14-28(15-13-25)22(29)16-19-6-10-27(11-7-19)21-17-20(23-18-24-21)26-8-4-3-5-9-26/h17-19H,2-16H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone has a molecular weight of 400.57 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 133293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).