N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide

C17H20BrN3O — CID 51130776

IUPACN-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccnc3ccc(Br)cc23)CC1
InChIInChI=1S/C17H20BrN3O/c1-12(22)20-11-13-5-8-21(9-6-13)17-4-7-19-16-3-2-14(18)10-15(16)17/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H,20,22)
InChIKeyFEHWIPPAKOOZIK-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.35
Rot. Bonds3

About N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 51130776) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID51130776
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccnc3ccc(Br)cc23)CC1
InChIInChI=1S/C17H20BrN3O/c1-12(22)20-11-13-5-8-21(9-6-13)17-4-7-19-16-3-2-14(18)10-15(16)17/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H,20,22)
InChIKeyFEHWIPPAKOOZIK-UHFFFAOYSA-N
XLogP3.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide (CID 51130776) is N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccnc3ccc(Br)cc23)CC1.
What is the InChIKey of N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is FEHWIPPAKOOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-12(22)20-11-13-5-8-21(9-6-13)17-4-7-19-16-3-2-14(18)10-15(16)17/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 362.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 51130776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).