1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one

C12H21N3O — CID 142769174

IUPAC1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C12H21N3O/c1-2-12(16)15-7-3-11(4-8-15)14-9-5-13-6-10-14/h2,11,13H,1,3-10H2
InChIKeyFWNHYPOAMDSZDJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.07
Rot. Bonds2

About 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one

1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 142769174) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one
PubChem CID142769174
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C12H21N3O/c1-2-12(16)15-7-3-11(4-8-15)14-9-5-13-6-10-14/h2,11,13H,1,3-10H2
InChIKeyFWNHYPOAMDSZDJ-UHFFFAOYSA-N
XLogP0.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one (CID 142769174) is 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one is C=CC(=O)N1CCC(N2CCNCC2)CC1.
What is the InChIKey of 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is FWNHYPOAMDSZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-12(16)15-7-3-11(4-8-15)14-9-5-13-6-10-14/h2,11,13H,1,3-10H2.
What are the key properties of 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one?
1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 223.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 142769174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).