1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

C14H23N3O — CID 46343142

IUPAC1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCCCN1CCN(C(=O)CCn2cccc2)CC1
InChIInChI=1S/C14H23N3O/c1-2-6-15-10-12-17(13-11-15)14(18)5-9-16-7-3-4-8-16/h3-4,7-8H,2,5-6,9-13H2,1H3
InChIKeyNYPKLUNNQFEMAJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.43
Rot. Bonds5

About 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 46343142) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
PubChem CID46343142
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCCCN1CCN(C(=O)CCn2cccc2)CC1
InChIInChI=1S/C14H23N3O/c1-2-6-15-10-12-17(13-11-15)14(18)5-9-16-7-3-4-8-16/h3-4,7-8H,2,5-6,9-13H2,1H3
InChIKeyNYPKLUNNQFEMAJ-UHFFFAOYSA-N
XLogP1.43
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (CID 46343142) is 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is CCCN1CCN(C(=O)CCn2cccc2)CC1.
What is the InChIKey of 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is NYPKLUNNQFEMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-6-15-10-12-17(13-11-15)14(18)5-9-16-7-3-4-8-16/h3-4,7-8H,2,5-6,9-13H2,1H3.
What are the key properties of 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 249.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 46343142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).