1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone

C20H33N5O2 — CID 53189258

IUPAC1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCCCCN1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1
InChIInChI=1S/C20H33N5O2/c1-3-4-9-23-12-14-25(15-13-23)19(26)16-17-6-10-24(11-7-17)18-5-8-21-20(22-18)27-2/h5,8,17H,3-4,6-7,9-16H2,1-2H3
InChIKeyOAFSRYXZEJCTEU-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.04
Rot. Bonds7

About 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone

1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (PubChem CID 53189258) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
PubChem CID53189258
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCCCCN1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1
InChIInChI=1S/C20H33N5O2/c1-3-4-9-23-12-14-25(15-13-23)19(26)16-17-6-10-24(11-7-17)18-5-8-21-20(22-18)27-2/h5,8,17H,3-4,6-7,9-16H2,1-2H3
InChIKeyOAFSRYXZEJCTEU-UHFFFAOYSA-N
XLogP2.04
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (CID 53189258) is 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is CCCCN1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1.
What is the InChIKey of 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The InChIKey is OAFSRYXZEJCTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-3-4-9-23-12-14-25(15-13-23)19(26)16-17-6-10-24(11-7-17)18-5-8-21-20(22-18)27-2/h5,8,17H,3-4,6-7,9-16H2,1-2H3.
What are the key properties of 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone has a molecular weight of 375.52 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 53189258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).