3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one

C15H27N3O2 — CID 63904672

IUPAC3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
SMILESC=CCN1CCN(C(=O)CCOC2CCNCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-2-8-17-9-11-18(12-10-17)15(19)5-13-20-14-3-6-16-7-4-14/h2,14,16H,1,3-13H2
InChIKeyLNZZTBVNCHMTME-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.48
Rot. Bonds6

About 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one

3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one (PubChem CID 63904672) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
PubChem CID63904672
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
SMILESC=CCN1CCN(C(=O)CCOC2CCNCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-2-8-17-9-11-18(12-10-17)15(19)5-13-20-14-3-6-16-7-4-14/h2,14,16H,1,3-13H2
InChIKeyLNZZTBVNCHMTME-UHFFFAOYSA-N
XLogP0.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one (CID 63904672) is 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one is C=CCN1CCN(C(=O)CCOC2CCNCC2)CC1.
What is the InChIKey of 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The InChIKey is LNZZTBVNCHMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-8-17-9-11-18(12-10-17)15(19)5-13-20-14-3-6-16-7-4-14/h2,14,16H,1,3-13H2.
What are the key properties of 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 63904672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).