3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one

C15H27N3O2 — CID 109018325

IUPAC3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC(=O)N1CCN(CCC(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C15H27N3O2/c1-13-4-3-6-18(12-13)15(20)5-7-16-8-10-17(11-9-16)14(2)19/h13H,3-12H2,1-2H3
InChIKeyZKUBBLAZYSQUBY-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.80
Rot. Bonds3

About 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one

3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 109018325) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID109018325
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC(=O)N1CCN(CCC(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C15H27N3O2/c1-13-4-3-6-18(12-13)15(20)5-7-16-8-10-17(11-9-16)14(2)19/h13H,3-12H2,1-2H3
InChIKeyZKUBBLAZYSQUBY-UHFFFAOYSA-N
XLogP0.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 95127390
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79160343
1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119379909
3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 95124446
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
2-[2-(azepan-1-yl)ethylsulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 134066589

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 109018325) is 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one is CC(=O)N1CCN(CCC(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ZKUBBLAZYSQUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-13-4-3-6-18(12-13)15(20)5-7-16-8-10-17(11-9-16)14(2)19/h13H,3-12H2,1-2H3.
What are the key properties of 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one?
3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109018325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).