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

C18H23N3O — CID 46343141

IUPAC1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESO=C(CCn1cccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c22-18(8-11-19-9-4-5-10-19)21-14-12-20(13-15-21)16-17-6-2-1-3-7-17/h1-7,9-10H,8,11-16H2
InChIKeyFOVLTOCXHQDHSX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.22
Rot. Bonds5

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

1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 46343141) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
PubChem CID46343141
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESO=C(CCn1cccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c22-18(8-11-19-9-4-5-10-19)21-14-12-20(13-15-21)16-17-6-2-1-3-7-17/h1-7,9-10H,8,11-16H2
InChIKeyFOVLTOCXHQDHSX-UHFFFAOYSA-N
XLogP2.22
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 110688701
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1-(4-benzylpiperazin-1-yl)-3-nitropropan-1-one
CID 56666107
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482886
(3aS,7aS)-2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 8713466
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one
CID 100600205
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (CID 46343141) is 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is O=C(CCn1cccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is FOVLTOCXHQDHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(8-11-19-9-4-5-10-19)21-14-12-20(13-15-21)16-17-6-2-1-3-7-17/h1-7,9-10H,8,11-16H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 297.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 46343141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).