1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one

C11H17N3O — CID 82507429

IUPAC1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
SMILESO=C(CCn1cccc1)N1CCNCC1
InChIInChI=1S/C11H17N3O/c15-11(14-9-4-12-5-10-14)3-8-13-6-1-2-7-13/h1-2,6-7,12H,3-5,8-10H2
InChIKeyXFDVVOSUPHURBT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.31
Rot. Bonds3

About 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one

1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one (PubChem CID 82507429) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
PubChem CID82507429
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
SMILESO=C(CCn1cccc1)N1CCNCC1
InChIInChI=1S/C11H17N3O/c15-11(14-9-4-12-5-10-14)3-8-13-6-1-2-7-13/h1-2,6-7,12H,3-5,8-10H2
InChIKeyXFDVVOSUPHURBT-UHFFFAOYSA-N
XLogP0.31
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperazin-1-yl-2-pyrrol-1-ylethanone
CID 61350188
ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate
CID 46343129
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
2-(3-oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343141
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 56861744
3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982786
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
N-(2-oxo-2-piperazin-1-ylethyl)-3-pyrazol-1-ylpropanamide
CID 61176642
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one (CID 82507429) is 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one is O=C(CCn1cccc1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one?
The InChIKey is XFDVVOSUPHURBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(14-9-4-12-5-10-14)3-8-13-6-1-2-7-13/h1-2,6-7,12H,3-5,8-10H2.
What are the key properties of 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one?
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one has a molecular weight of 207.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 82507429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).