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

C13H23N3O — CID 172604118

IUPACpiperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone
SMILESC=C(C)N1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H23N3O/c1-11(2)15-7-3-12(4-8-15)13(17)16-9-5-14-6-10-16/h12,14H,1,3-10H2,2H3
InChIKeyYBUMXGSOIMXCTO-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.66
Rot. Bonds2

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

piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone (PubChem CID 172604118) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone
PubChem CID172604118
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Namepiperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone
SMILESC=C(C)N1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H23N3O/c1-11(2)15-7-3-12(4-8-15)13(17)16-9-5-14-6-10-16/h12,14H,1,3-10H2,2H3
InChIKeyYBUMXGSOIMXCTO-UHFFFAOYSA-N
XLogP0.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone?
The IUPAC name of piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone (CID 172604118) is piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone is C=C(C)N1CCC(C(=O)N2CCNCC2)CC1.
What is the InChIKey of piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone?
The InChIKey is YBUMXGSOIMXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)15-7-3-12(4-8-15)13(17)16-9-5-14-6-10-16/h12,14H,1,3-10H2,2H3.
What are the key properties of piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone?
piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone has a molecular weight of 237.35 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(1-prop-1-en-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 172604118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).