2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide

C16H18BrN3O — CID 97079700

IUPAC2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCN(c2ccc3cccc(Br)c3n2)C1
InChIInChI=1S/C16H18BrN3O/c17-13-5-1-4-12-6-7-15(19-16(12)13)20-8-2-3-11(10-20)9-14(18)21/h1,4-7,11H,2-3,8-10H2,(H2,18,21)/t11-/m0/s1
InChIKeyFDXMUXLIEKUYAD-NSHDSACASA-N
MW348.24 g/mol
LogP3.09
Rot. Bonds3

About 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide

2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide (PubChem CID 97079700) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide
PubChem CID97079700
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCN(c2ccc3cccc(Br)c3n2)C1
InChIInChI=1S/C16H18BrN3O/c17-13-5-1-4-12-6-7-15(19-16(12)13)20-8-2-3-11(10-20)9-14(18)21/h1,4-7,11H,2-3,8-10H2,(H2,18,21)/t11-/m0/s1
InChIKeyFDXMUXLIEKUYAD-NSHDSACASA-N
XLogP3.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide
CID 71917685
1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122058851
2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133403773
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 127266551
1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052480
2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133356012
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
8-bromoquinoline-2-carboxamide
CID 610197
2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide (CID 97079700) is 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide is NC(=O)C[C@@H]1CCCN(c2ccc3cccc(Br)c3n2)C1.
What is the InChIKey of 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide?
The InChIKey is FDXMUXLIEKUYAD-NSHDSACASA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-13-5-1-4-12-6-7-15(19-16(12)13)20-8-2-3-11(10-20)9-14(18)21/h1,4-7,11H,2-3,8-10H2,(H2,18,21)/t11-/m0/s1.
What are the key properties of 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide?
2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide has a molecular weight of 348.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 97079700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).