1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone

C17H23BrN2O — CID 63170629

IUPAC1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCCC2)C1)c1cccc(Br)c1
InChIInChI=1S/C17H23BrN2O/c18-15-6-4-5-14(11-15)17(21)13-19-10-7-16(12-19)20-8-2-1-3-9-20/h4-6,11,16H,1-3,7-10,12-13H2
InChIKeyNUZFWKRWSFSNIP-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.19
Rot. Bonds4

About 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone

1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 63170629) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID63170629
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCCC2)C1)c1cccc(Br)c1
InChIInChI=1S/C17H23BrN2O/c18-15-6-4-5-14(11-15)17(21)13-19-10-7-16(12-19)20-8-2-1-3-9-20/h4-6,11,16H,1-3,7-10,12-13H2
InChIKeyNUZFWKRWSFSNIP-UHFFFAOYSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
1-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170716
1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175
1-(4-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170265
1-(4-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170407
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(3,4-dihydroxyphenyl)ethanone
CID 79917562
1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794567
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-bromophenyl)methanone
CID 49224623
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone (CID 63170629) is 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone is O=C(CN1CCC(N2CCCCC2)C1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is NUZFWKRWSFSNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c18-15-6-4-5-14(11-15)17(21)13-19-10-7-16(12-19)20-8-2-1-3-9-20/h4-6,11,16H,1-3,7-10,12-13H2.
What are the key properties of 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 351.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 63170629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).