1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one

C10H18N2O3 — CID 107507094

IUPAC1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-9(13)12-5-3-11(4-6-12)7-10(14)8-15-2/h3-8H2,1-2H3
InChIKeyGBJNCLYAGRWVIR-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.63
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one

1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one (PubChem CID 107507094) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one
PubChem CID107507094
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-9(13)12-5-3-11(4-6-12)7-10(14)8-15-2/h3-8H2,1-2H3
InChIKeyGBJNCLYAGRWVIR-UHFFFAOYSA-N
XLogP-0.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-3-methoxypropan-2-one
CID 107507090
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 107507575
1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one
CID 107507399
1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone
CID 60712313
2-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507566
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
CID 107507405

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one (CID 107507094) is 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one is COCC(=O)CN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one?
The InChIKey is GBJNCLYAGRWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(13)12-5-3-11(4-6-12)7-10(14)8-15-2/h3-8H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one?
1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one has a molecular weight of 214.26 g/mol, XLogP of -0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 107507094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).