(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone

C11H13BrN2O — CID 130772047

IUPAC(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccncc1Br)N1CCCCC1
InChIInChI=1S/C11H13BrN2O/c12-10-8-13-5-4-9(10)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyWKSOTRVZRJMTNW-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.47
Rot. Bonds1

About (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone

(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone (PubChem CID 130772047) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
PubChem CID130772047
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccncc1Br)N1CCCCC1
InChIInChI=1S/C11H13BrN2O/c12-10-8-13-5-4-9(10)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyWKSOTRVZRJMTNW-UHFFFAOYSA-N
XLogP2.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[4-(piperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 66472882
azetidin-1-yl-(3-iodo-4-pyridinyl)methanone
CID 130650791
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
1-(3-bromopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120514918
(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 91664716
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
(3aR,7aS)-5-(3-bromopyridine-4-carbonyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963711
3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 120536755
3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 104777246
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone (CID 130772047) is (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone is O=C(c1ccncc1Br)N1CCCCC1.
What is the InChIKey of (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone?
The InChIKey is WKSOTRVZRJMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-10-8-13-5-4-9(10)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2.
What are the key properties of (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone?
(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone has a molecular weight of 269.14 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-pyridinyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 130772047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).