(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone

C13H18BrN3O — CID 63079740

IUPAC(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C13H18BrN3O/c1-16(2)12-4-3-5-17(9-12)13(18)10-6-11(14)8-15-7-10/h6-8,12H,3-5,9H2,1-2H3
InChIKeyIJWBKYKEUJQJJD-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.01
Rot. Bonds2

About (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 63079740) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID63079740
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C13H18BrN3O/c1-16(2)12-4-3-5-17(9-12)13(18)10-6-11(14)8-15-7-10/h6-8,12H,3-5,9H2,1-2H3
InChIKeyIJWBKYKEUJQJJD-UHFFFAOYSA-N
XLogP2.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 134160568
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120727734
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868
[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63616448
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(5-bromo-3-pyridinyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586983

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 63079740) is (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2cncc(Br)c2)C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is IJWBKYKEUJQJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-16(2)12-4-3-5-17(9-12)13(18)10-6-11(14)8-15-7-10/h6-8,12H,3-5,9H2,1-2H3.
What are the key properties of (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 312.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 63079740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).