1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one

C14H23N3O3 — CID 91564845

IUPAC1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one
SMILESCC(=O)N1CCN(CCC(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C14H23N3O3/c1-12(18)16-10-8-15(9-11-16)5-4-14(20)17-6-2-13(19)3-7-17/h2-11H2,1H3
InChIKeySDQGIYCJKPUXJA-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.27
Rot. Bonds3

About 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one

1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one (PubChem CID 91564845) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one
PubChem CID91564845
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one
SMILESCC(=O)N1CCN(CCC(=O)N2CCC(=O)CC2)CC1
InChIInChI=1S/C14H23N3O3/c1-12(18)16-10-8-15(9-11-16)5-4-14(20)17-6-2-13(19)3-7-17/h2-11H2,1H3
InChIKeySDQGIYCJKPUXJA-UHFFFAOYSA-N
XLogP-0.27
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one?
The IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one (CID 91564845) is 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one?
The canonical SMILES for 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one is CC(=O)N1CCN(CCC(=O)N2CCC(=O)CC2)CC1.
What is the InChIKey of 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one?
The InChIKey is SDQGIYCJKPUXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-12(18)16-10-8-15(9-11-16)5-4-14(20)17-6-2-13(19)3-7-17/h2-11H2,1H3.
What are the key properties of 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one?
1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one has a molecular weight of 281.36 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one is sourced from PubChem (CID 91564845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).