1-piperazin-1-yl-2-pyrrol-1-ylethanone

C10H15N3O — CID 61350188

IUPAC1-piperazin-1-yl-2-pyrrol-1-ylethanone
SMILESO=C(Cn1cccc1)N1CCNCC1
InChIInChI=1S/C10H15N3O/c14-10(9-12-5-1-2-6-12)13-7-3-11-4-8-13/h1-2,5-6,11H,3-4,7-9H2
InChIKeyPTCIYLPKZCBZRV-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.08
Rot. Bonds2

About 1-piperazin-1-yl-2-pyrrol-1-ylethanone

1-piperazin-1-yl-2-pyrrol-1-ylethanone (PubChem CID 61350188) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-pyrrol-1-ylethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-pyrrol-1-ylethanone
PubChem CID61350188
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-piperazin-1-yl-2-pyrrol-1-ylethanone
SMILESO=C(Cn1cccc1)N1CCNCC1
InChIInChI=1S/C10H15N3O/c14-10(9-12-5-1-2-6-12)13-7-3-11-4-8-13/h1-2,5-6,11H,3-4,7-9H2
InChIKeyPTCIYLPKZCBZRV-UHFFFAOYSA-N
XLogP-0.08
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
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CID 122341661
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one
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3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-pyrrol-1-ylethanone?
The IUPAC name of 1-piperazin-1-yl-2-pyrrol-1-ylethanone (CID 61350188) is 1-piperazin-1-yl-2-pyrrol-1-ylethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-pyrrol-1-ylethanone?
The canonical SMILES for 1-piperazin-1-yl-2-pyrrol-1-ylethanone is O=C(Cn1cccc1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-pyrrol-1-ylethanone?
The InChIKey is PTCIYLPKZCBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10(9-12-5-1-2-6-12)13-7-3-11-4-8-13/h1-2,5-6,11H,3-4,7-9H2.
What are the key properties of 1-piperazin-1-yl-2-pyrrol-1-ylethanone?
1-piperazin-1-yl-2-pyrrol-1-ylethanone has a molecular weight of 193.25 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-pyrrol-1-ylethanone is sourced from PubChem (CID 61350188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).