N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide

C22H24N4O3S — CID 171989231

IUPACN-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3nccc(-c4cccs4)n3)CC2)cc(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-28-17-12-16(13-18(14-17)29-2)24-21(27)15-6-9-26(10-7-15)22-23-8-5-19(25-22)20-4-3-11-30-20/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H,24,27)
InChIKeyLDMZVKFHNDFRAX-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.08
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide

N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 171989231) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID171989231
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3nccc(-c4cccs4)n3)CC2)cc(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-28-17-12-16(13-18(14-17)29-2)24-21(27)15-6-9-26(10-7-15)22-23-8-5-19(25-22)20-4-3-11-30-20/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H,24,27)
InChIKeyLDMZVKFHNDFRAX-UHFFFAOYSA-N
XLogP4.08
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.08
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-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine
CID 51371047
N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 89464821
N-(3,5-dimethoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170427
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
N-(3,5-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947260
N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 53086068
ethyl 1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 171989103
N-(3,5-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062099
N-(4-methyl-2-pyridinyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947252
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide (CID 171989231) is N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(c3nccc(-c4cccs4)n3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is LDMZVKFHNDFRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-28-17-12-16(13-18(14-17)29-2)24-21(27)15-6-9-26(10-7-15)22-23-8-5-19(25-22)20-4-3-11-30-20/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H,24,27).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 171989231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).