1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone

C10H18N4O — CID 20715743

IUPAC1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=NCCCN2)CC1
InChIInChI=1S/C10H18N4O/c1-9(15)13-5-7-14(8-6-13)10-11-3-2-4-12-10/h2-8H2,1H3,(H,11,12)
InChIKeyKIJZBNSSWKYSQL-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.50
Rot. Bonds

About 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone

1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 20715743) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID20715743
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=NCCCN2)CC1
InChIInChI=1S/C10H18N4O/c1-9(15)13-5-7-14(8-6-13)10-11-3-2-4-12-10/h2-8H2,1H3,(H,11,12)
InChIKeyKIJZBNSSWKYSQL-UHFFFAOYSA-N
XLogP-0.50
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propylpropanamide
CID 109376107
3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 109378205
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-propylacetamide
CID 109379126
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473412
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473413
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474322
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109474323
4-acetyl-N-ethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperazine-1-carboximidamide;hydroiodide
CID 110963468
4-acetyl-N-ethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperazine-1-carboximidamide
CID 110963469
4-acetyl-N-ethyl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111546956
4-acetyl-N-ethyl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111546957
4-acetyl-N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]piperazine-1-carboximidamide
CID 111546971

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone (CID 20715743) is 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2=NCCCN2)CC1.
What is the InChIKey of 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is KIJZBNSSWKYSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9(15)13-5-7-14(8-6-13)10-11-3-2-4-12-10/h2-8H2,1H3,(H,11,12).
What are the key properties of 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone?
1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 210.28 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20715743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).