2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone

C16H23N3O — CID 35752459

IUPAC2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccccc1N1CCNCC1)N1CCCC1
InChIInChI=1S/C16H23N3O/c20-16(19-9-3-4-10-19)13-14-5-1-2-6-15(14)18-11-7-17-8-12-18/h1-2,5-6,17H,3-4,7-13H2
InChIKeyZTWHMNDQBVEJDD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.26
Rot. Bonds3

About 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone

2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 35752459) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID35752459
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccccc1N1CCNCC1)N1CCCC1
InChIInChI=1S/C16H23N3O/c20-16(19-9-3-4-10-19)13-14-5-1-2-6-15(14)18-11-7-17-8-12-18/h1-2,5-6,17H,3-4,7-13H2
InChIKeyZTWHMNDQBVEJDD-UHFFFAOYSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-piperazin-1-ylphenyl)methanamine;hydrochloride
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2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
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1-(2-piperazin-1-ylphenyl)propan-1-one
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1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
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1-(1,4-diazepan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanone;hydrochloride
CID 119416195
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 28749270
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-(2-butylphenyl)piperazine
CID 14479835
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone (CID 35752459) is 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone is O=C(Cc1ccccc1N1CCNCC1)N1CCCC1.
What is the InChIKey of 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is ZTWHMNDQBVEJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(19-9-3-4-10-19)13-14-5-1-2-6-15(14)18-11-7-17-8-12-18/h1-2,5-6,17H,3-4,7-13H2.
What are the key properties of 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone?
2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 273.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 35752459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).