N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C23H24N4O4S — CID 75419257

IUPACN-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C23H24N4O4S/c1-32(29,30)21-9-7-20(8-10-21)31-19-5-3-18(4-6-19)26-22(28)17-11-15-27(16-12-17)23-24-13-2-14-25-23/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,26,28)
InChIKeyXVOPPLIJIGARBR-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.53
Rot. Bonds6

About N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75419257) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75419257
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C23H24N4O4S/c1-32(29,30)21-9-7-20(8-10-21)31-19-5-3-18(4-6-19)26-22(28)17-11-15-27(16-12-17)23-24-13-2-14-25-23/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,26,28)
InChIKeyXVOPPLIJIGARBR-UHFFFAOYSA-N
XLogP3.53
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
(7S)-N-[4-(4-methylsulfonylphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97325926
N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47048097
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
N-(4-methylsulfonylphenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 118762508
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769505
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119331518
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55758856

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75419257) is N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCN(c4ncccn4)CC3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is XVOPPLIJIGARBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-32(29,30)21-9-7-20(8-10-21)31-19-5-3-18(4-6-19)26-22(28)17-11-15-27(16-12-17)23-24-13-2-14-25-23/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,26,28).
What are the key properties of N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75419257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).