[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone

C15H20BrN3O — CID 170459085

IUPAC[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H20BrN3O/c16-13-4-3-5-14(12-13)17-8-10-19(11-9-17)15(20)18-6-1-2-7-18/h3-5,12H,1-2,6-11H2
InChIKeyFGWSWBKEMZTPCB-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.79
Rot. Bonds1

About [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone

[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 170459085) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID170459085
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H20BrN3O/c16-13-4-3-5-14(12-13)17-8-10-19(11-9-17)15(20)18-6-1-2-7-18/h3-5,12H,1-2,6-11H2
InChIKeyFGWSWBKEMZTPCB-UHFFFAOYSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)pyrrolidine
CID 7016459
10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one
CID 162647463
prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
CID 170459088
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113079434
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136542143
1-(3-bromophenyl)-4-tert-butylpiperazine
CID 68819490
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone (CID 170459085) is [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(c2cccc(Br)c2)CC1.
What is the InChIKey of [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FGWSWBKEMZTPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-13-4-3-5-14(12-13)17-8-10-19(11-9-17)15(20)18-6-1-2-7-18/h3-5,12H,1-2,6-11H2.
What are the key properties of [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 170459085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).