(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone

C12H15BrN2O — CID 23907944

IUPAC(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O/c1-9-3-2-4-15(8-9)12(16)10-5-11(13)7-14-6-10/h5-7,9H,2-4,8H2,1H3
InChIKeyRNYRTWUXSGLGHV-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.72
Rot. Bonds1

About (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone

(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 23907944) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID23907944
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O/c1-9-3-2-4-15(8-9)12(16)10-5-11(13)7-14-6-10/h5-7,9H,2-4,8H2,1H3
InChIKeyRNYRTWUXSGLGHV-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-bromo-3-pyridinyl)-(3-methylpiperidin-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-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 134160568
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
(5-bromo-3-pyridinyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586983
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
[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
(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
[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
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone (CID 23907944) is (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cncc(Br)c2)C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is RNYRTWUXSGLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-9-3-2-4-15(8-9)12(16)10-5-11(13)7-14-6-10/h5-7,9H,2-4,8H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 283.17 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 23907944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).