N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide

C14H20BrN3O — CID 133360369

IUPACN-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2ncc(Br)cc2C)C1
InChIInChI=1S/C14H20BrN3O/c1-10-6-13(15)8-17-14(10)18-5-3-4-12(9-18)7-16-11(2)19/h6,8,12H,3-5,7,9H2,1-2H3,(H,16,19)
InChIKeyJTJWLHJYDHPFQD-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.51
Rot. Bonds3

About N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide

N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide (PubChem CID 133360369) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
PubChem CID133360369
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2ncc(Br)cc2C)C1
InChIInChI=1S/C14H20BrN3O/c1-10-6-13(15)8-17-14(10)18-5-3-4-12(9-18)7-16-11(2)19/h6,8,12H,3-5,7,9H2,1-2H3,(H,16,19)
InChIKeyJTJWLHJYDHPFQD-UHFFFAOYSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide
CID 84586788
N-[[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]acetamide
CID 133274961
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 106588323
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanamine
CID 79717951
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
N-[[(3R)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277232

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide (CID 133360369) is N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2ncc(Br)cc2C)C1.
What is the InChIKey of N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is JTJWLHJYDHPFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10-6-13(15)8-17-14(10)18-5-3-4-12(9-18)7-16-11(2)19/h6,8,12H,3-5,7,9H2,1-2H3,(H,16,19).
What are the key properties of N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide?
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 326.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 133360369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).