4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide

C18H18BrN3O3 — CID 122256718

IUPAC4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCCN(C(=O)c3ccc(Br)cc3)C2)ccn1
InChIInChI=1S/C18H18BrN3O3/c19-13-5-3-12(4-6-13)18(24)22-9-1-2-15(11-22)25-14-7-8-21-16(10-14)17(20)23/h3-8,10,15H,1-2,9,11H2,(H2,20,23)
InChIKeyUQRXKQYVTMTZON-UHFFFAOYSA-N
MW404.26 g/mol
LogP2.63
Rot. Bonds4

About 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide

4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122256718) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122256718
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC Name4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCCN(C(=O)c3ccc(Br)cc3)C2)ccn1
InChIInChI=1S/C18H18BrN3O3/c19-13-5-3-12(4-6-13)18(24)22-9-1-2-15(11-22)25-14-7-8-21-16(10-14)17(20)23/h3-8,10,15H,1-2,9,11H2,(H2,20,23)
InChIKeyUQRXKQYVTMTZON-UHFFFAOYSA-N
XLogP2.63
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
4-[1-(1H-indole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256871
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
4-[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256598
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686
4-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256922
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
4-[1-(phenylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256998
4-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256640

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide (CID 122256718) is 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(OC2CCCN(C(=O)c3ccc(Br)cc3)C2)ccn1.
What is the InChIKey of 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is UQRXKQYVTMTZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c19-13-5-3-12(4-6-13)18(24)22-9-1-2-15(11-22)25-14-7-8-21-16(10-14)17(20)23/h3-8,10,15H,1-2,9,11H2,(H2,20,23).
What are the key properties of 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 404.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122256718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).