N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide

C16H18BrN3O — CID 116784337

IUPACN-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H18BrN3O/c17-13-8-12-4-1-5-14(16(12)19-10-13)20-15(21)7-11-3-2-6-18-9-11/h1,4-5,8,10-11,18H,2-3,6-7,9H2,(H,20,21)
InChIKeyPHPSAHSYQATUBC-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.33
Rot. Bonds3

About N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide

N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide (PubChem CID 116784337) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
PubChem CID116784337
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H18BrN3O/c17-13-8-12-4-1-5-14(16(12)19-10-13)20-15(21)7-11-3-2-6-18-9-11/h1,4-5,8,10-11,18H,2-3,6-7,9H2,(H,20,21)
InChIKeyPHPSAHSYQATUBC-UHFFFAOYSA-N
XLogP3.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
N-(6-fluoro-2-pyridinyl)-2-piperidin-3-ylacetamide
CID 116813334
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
CID 116784684
N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
8-bromo-3-(piperidin-3-ylmethyl)quinoline
CID 84644812
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide (CID 116784337) is N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide is O=C(CC1CCCNC1)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide?
The InChIKey is PHPSAHSYQATUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-13-8-12-4-1-5-14(16(12)19-10-13)20-15(21)7-11-3-2-6-18-9-11/h1,4-5,8,10-11,18H,2-3,6-7,9H2,(H,20,21).
What are the key properties of N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide?
N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide has a molecular weight of 348.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 116784337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).