1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide

C20H24BrN3O2 — CID 171995055

IUPAC1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2ccc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C20H24BrN3O2/c21-16-3-1-14-2-4-19(23-18(14)13-16)24-9-5-15(6-10-24)20(25)22-17-7-11-26-12-8-17/h1-4,13,15,17H,5-12H2,(H,22,25)
InChIKeySZJHZXZAFDOAJN-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.51
Rot. Bonds3

About 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide

1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 171995055) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID171995055
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2ccc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C20H24BrN3O2/c21-16-3-1-14-2-4-19(23-18(14)13-16)24-9-5-15(6-10-24)20(25)22-17-7-11-26-12-8-17/h1-4,13,15,17H,5-12H2,(H,22,25)
InChIKeySZJHZXZAFDOAJN-UHFFFAOYSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide (CID 171995055) is 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide is O=C(NC1CCOCC1)C1CCN(c2ccc3ccc(Br)cc3n2)CC1.
What is the InChIKey of 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is SZJHZXZAFDOAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c21-16-3-1-14-2-4-19(23-18(14)13-16)24-9-5-15(6-10-24)20(25)22-17-7-11-26-12-8-17/h1-4,13,15,17H,5-12H2,(H,22,25).
What are the key properties of 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide?
1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromoquinolin-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 171995055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).