N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide

C14H20BrN3O — CID 103885084

IUPACN-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Br)nc1)C1CCCNC1
InChIInChI=1S/C14H20BrN3O/c1-14(2,10-4-3-7-16-8-10)13(19)18-11-5-6-12(15)17-9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyXXFWVTRTSBIWEK-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.81
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 103885084) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID103885084
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Br)nc1)C1CCCNC1
InChIInChI=1S/C14H20BrN3O/c1-14(2,10-4-3-7-16-8-10)13(19)18-11-5-6-12(15)17-9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyXXFWVTRTSBIWEK-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83032094
2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
CID 83031621
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
2-amino-N-(6-bromo-3-pyridinyl)-2-cyclopropylpropanamide
CID 103821261
2-methyl-N-(3-methyl-2-pyridinyl)-2-piperidin-3-ylpropanamide
CID 83199453
N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199187
N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199456
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
N-(5-bromo-2-chlorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83200174
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034554

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 103885084) is N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide is CC(C)(C(=O)Nc1ccc(Br)nc1)C1CCCNC1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is XXFWVTRTSBIWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-14(2,10-4-3-7-16-8-10)13(19)18-11-5-6-12(15)17-9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 326.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 103885084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).