(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

C15H20BrN3O — CID 107518959

IUPAC(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H20BrN3O/c16-13-5-4-7-17-14(13)15(20)19-10-6-12(11-19)18-8-2-1-3-9-18/h4-5,7,12H,1-3,6,8-11H2
InChIKeyXHAMLJJECGFSKD-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.54
Rot. Bonds2

About (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 107518959) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID107518959
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H20BrN3O/c16-13-5-4-7-17-14(13)15(20)19-10-6-12(11-19)18-8-2-1-3-9-18/h4-5,7,12H,1-3,6,8-11H2
InChIKeyXHAMLJJECGFSKD-UHFFFAOYSA-N
XLogP2.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 107525417
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 107517164
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
(3-bromo-2-pyridinyl)-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]methanone
CID 129480875
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
(3-bromo-2-pyridinyl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974411
(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 95707922

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (CID 107518959) is (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1ncccc1Br)N1CCC(N2CCCCC2)C1.
What is the InChIKey of (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is XHAMLJJECGFSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-13-5-4-7-17-14(13)15(20)19-10-6-12(11-19)18-8-2-1-3-9-18/h4-5,7,12H,1-3,6,8-11H2.
What are the key properties of (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 338.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 107518959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).