N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C22H21BrN4O — CID 90519264

IUPACN-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C22H21BrN4O/c23-18-8-10-19(11-9-18)26-22(28)17-7-4-12-27(14-17)21-13-20(24-15-25-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,17H,4,7,12,14H2,(H,26,28)
InChIKeyFHOXWLWSIIZNPY-UHFFFAOYSA-N
MW437.34 g/mol
LogP4.76
Rot. Bonds4

About N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90519264) has the molecular formula C22H21BrN4O and a molecular weight of 437.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID90519264
Molecular FormulaC22H21BrN4O
Molecular Weight437.34 g/mol
Exact Mass436.09
IUPAC NameN-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C22H21BrN4O/c23-18-8-10-19(11-9-18)26-22(28)17-7-4-12-27(14-17)21-13-20(24-15-25-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,17H,4,7,12,14H2,(H,26,28)
InChIKeyFHOXWLWSIIZNPY-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
N-(4-bromo-2-methylphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519272
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519241
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519401
N-(4-chloro-3-nitrophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519386
N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519369
N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519275
N-(2,4-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519285
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168086

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90519264) is N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is FHOXWLWSIIZNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O/c23-18-8-10-19(11-9-18)26-22(28)17-7-4-12-27(14-17)21-13-20(24-15-25-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,17H,4,7,12,14H2,(H,26,28).
What are the key properties of N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 437.34 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90519264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).