1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone

C17H26N6O2 — CID 109254149

IUPAC1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
SMILESCCN1CCN(c2ncc(C(=O)N3CCN(C(C)=O)CC3)cn2)CC1
InChIInChI=1S/C17H26N6O2/c1-3-20-4-6-23(7-5-20)17-18-12-15(13-19-17)16(25)22-10-8-21(9-11-22)14(2)24/h12-13H,3-11H2,1-2H3
InChIKeyJFIPAKWJYLQHFK-UHFFFAOYSA-N
MW346.44 g/mol
LogP-0.08
Rot. Bonds3

About 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109254149) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
PubChem CID109254149
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
SMILESCCN1CCN(c2ncc(C(=O)N3CCN(C(C)=O)CC3)cn2)CC1
InChIInChI=1S/C17H26N6O2/c1-3-20-4-6-23(7-5-20)17-18-12-15(13-19-17)16(25)22-10-8-21(9-11-22)14(2)24/h12-13H,3-11H2,1-2H3
InChIKeyJFIPAKWJYLQHFK-UHFFFAOYSA-N
XLogP-0.08
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456
(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168658
2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide
CID 109254206
N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109254112
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005
ethane;1-[2-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]ethanone;methane
CID 165134657
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109254161
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496
1-[4-[5-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 109254794

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone (CID 109254149) is 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone is CCN1CCN(c2ncc(C(=O)N3CCN(C(C)=O)CC3)cn2)CC1.
What is the InChIKey of 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is JFIPAKWJYLQHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-3-20-4-6-23(7-5-20)17-18-12-15(13-19-17)16(25)22-10-8-21(9-11-22)14(2)24/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 346.44 g/mol, XLogP of -0.08, 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-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109254149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).