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

C24H26N4O3 — CID 53062028

IUPACN-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc(OC)c1
InChIInChI=1S/C24H26N4O3/c1-30-20-12-19(13-21(14-20)31-2)27-24(29)18-8-10-28(11-9-18)23-15-22(25-16-26-23)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3,(H,27,29)
InChIKeyMIXVSWGHDQCSBY-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.02
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53062028) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53062028
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc(OC)c1
InChIInChI=1S/C24H26N4O3/c1-30-20-12-19(13-21(14-20)31-2)27-24(29)18-8-10-28(11-9-18)23-15-22(25-16-26-23)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3,(H,27,29)
InChIKeyMIXVSWGHDQCSBY-UHFFFAOYSA-N
XLogP4.02
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062099
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
N-(3,5-dimethoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170427
N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062142
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
ethyl 4-[[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90519480

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 53062028) is N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is MIXVSWGHDQCSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-20-12-19(13-21(14-20)31-2)27-24(29)18-8-10-28(11-9-18)23-15-22(25-16-26-23)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3,(H,27,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53062028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).