N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

C14H21BrN4O — CID 115305446

IUPACN-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN4O/c1-14(16-2)5-7-19(8-6-14)10-13(20)18-12-4-3-11(15)9-17-12/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,18,20)
InChIKeyAIPIXPJRVQAOPF-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.86
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (PubChem CID 115305446) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
PubChem CID115305446
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN4O/c1-14(16-2)5-7-19(8-6-14)10-13(20)18-12-4-3-11(15)9-17-12/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,18,20)
InChIKeyAIPIXPJRVQAOPF-UHFFFAOYSA-N
XLogP1.86
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305227
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 37206607
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86913488
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63312780
N-(3,4-dichlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305044
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (CID 115305446) is N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is CNC1(C)CCN(CC(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is AIPIXPJRVQAOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-14(16-2)5-7-19(8-6-14)10-13(20)18-12-4-3-11(15)9-17-12/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 115305446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).