(2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C16H20Br2N2O — CID 103882570

IUPAC(2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1Br)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H20Br2N2O/c17-12-5-6-14(15(18)10-12)16(21)20-9-3-4-13(11-20)19-7-1-2-8-19/h5-6,10,13H,1-4,7-9,11H2
InChIKeyZBYYHDDQVPBQLG-UHFFFAOYSA-N
MW416.16 g/mol
LogP3.91
Rot. Bonds2

About (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 103882570) has the molecular formula C16H20Br2N2O and a molecular weight of 416.16 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID103882570
Molecular FormulaC16H20Br2N2O
Molecular Weight416.16 g/mol
Exact Mass413.99
IUPAC Name(2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1Br)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H20Br2N2O/c17-12-5-6-14(15(18)10-12)16(21)20-9-3-4-13(11-20)19-7-1-2-8-19/h5-6,10,13H,1-4,7-9,11H2
InChIKeyZBYYHDDQVPBQLG-UHFFFAOYSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone 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

(5-bromo-2-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 65309799
(3-bromopiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941058
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
(4-bromo-2-propan-2-yloxyphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 86839386
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 95271389
(2,4-dibromophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 103882887
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-bromophenyl)methanone
CID 49224623
(4-bromo-3-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115770446
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-bromo-1H-indol-2-yl)methanone
CID 49224964
(2-bromo-5-sulfanylphenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107029385
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(3,5-dibromophenyl)methanone
CID 103908312
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 103882570) is (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccc(Br)cc1Br)N1CCCC(N2CCCC2)C1.
What is the InChIKey of (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is ZBYYHDDQVPBQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2N2O/c17-12-5-6-14(15(18)10-12)16(21)20-9-3-4-13(11-20)19-7-1-2-8-19/h5-6,10,13H,1-4,7-9,11H2.
What are the key properties of (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 416.16 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103882570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).