N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C22H20Cl2N4O — CID 90519275

IUPACN-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C22H20Cl2N4O/c23-17-8-9-18(24)20(11-17)27-22(29)16-7-4-10-28(13-16)21-12-19(25-14-26-21)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,16H,4,7,10,13H2,(H,27,29)
InChIKeyQSHBRKMXYFOUIE-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.31
Rot. Bonds4

About N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90519275) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID90519275
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC NameN-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C22H20Cl2N4O/c23-17-8-9-18(24)20(11-17)27-22(29)16-7-4-10-28(13-16)21-12-19(25-14-26-21)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,16H,4,7,10,13H2,(H,27,29)
InChIKeyQSHBRKMXYFOUIE-UHFFFAOYSA-N
XLogP5.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519285
N-(5-chloro-2-methoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519286
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-(4-chloro-3-nitrophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519386
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
N-(4-bromo-2-methylphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519272
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519768
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519241
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519790
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519336
N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519369

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90519275) is N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CCCN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is QSHBRKMXYFOUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c23-17-8-9-18(24)20(11-17)27-22(29)16-7-4-10-28(13-16)21-12-19(25-14-26-21)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,14,16H,4,7,10,13H2,(H,27,29).
What are the key properties of N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 427.34 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90519275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).