(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide

C16H18BrN3O — CID 95775268

IUPAC(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1
InChIInChI=1S/C16H18BrN3O/c1-18-16(21)12-3-2-8-20(10-12)15-7-4-11-9-13(17)5-6-14(11)19-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyPOBSZAZXMHTDGC-GFCCVEGCSA-N
MW348.24 g/mol
LogP2.96
Rot. Bonds2

About (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide

(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 95775268) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide
PubChem CID95775268
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1
InChIInChI=1S/C16H18BrN3O/c1-18-16(21)12-3-2-8-20(10-12)15-7-4-11-9-13(17)5-6-14(11)19-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyPOBSZAZXMHTDGC-GFCCVEGCSA-N
XLogP2.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888286
[1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384397
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
1-(7-bromo-1,5-naphthyridin-4-yl)-N-methylpiperidine-3-carboxamide
CID 104530089
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide (CID 95775268) is (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)[C@@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1.
What is the InChIKey of (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is POBSZAZXMHTDGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-18-16(21)12-3-2-8-20(10-12)15-7-4-11-9-13(17)5-6-14(11)19-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide?
(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95775268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).