1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one

C12H23N3O — CID 66963233

IUPAC1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)C1CNCCN1
InChIInChI=1S/C12H23N3O/c16-12(11-10-13-5-6-14-11)4-9-15-7-2-1-3-8-15/h11,13-14H,1-10H2
InChIKeyFUUGPPJZSBVVDT-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.01
Rot. Bonds4

About 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one

1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one (PubChem CID 66963233) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one
PubChem CID66963233
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)C1CNCCN1
InChIInChI=1S/C12H23N3O/c16-12(11-10-13-5-6-14-11)4-9-15-7-2-1-3-8-15/h11,13-14H,1-10H2
InChIKeyFUUGPPJZSBVVDT-UHFFFAOYSA-N
XLogP-0.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one (CID 66963233) is 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)C1CNCCN1.
What is the InChIKey of 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one?
The InChIKey is FUUGPPJZSBVVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(11-10-13-5-6-14-11)4-9-15-7-2-1-3-8-15/h11,13-14H,1-10H2.
What are the key properties of 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one?
1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one has a molecular weight of 225.34 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-2-yl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 66963233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).