N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H22N4O3 — CID 653950

IUPACN-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H22N4O3/c1-24-14-4-5-16(25-2)15(12-14)21-17(23)13-6-10-22(11-7-13)18-19-8-3-9-20-18/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyQEVSUEUHJWCJQT-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.35
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 653950) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID653950
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H22N4O3/c1-24-14-4-5-16(25-2)15(12-14)21-17(23)13-6-10-22(11-7-13)18-19-8-3-9-20-18/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyQEVSUEUHJWCJQT-UHFFFAOYSA-N
XLogP2.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
1-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 43815637
N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223204
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215
N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514047

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 653950) is N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is COc1ccc(OC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is QEVSUEUHJWCJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-14-4-5-16(25-2)15(12-14)21-17(23)13-6-10-22(11-7-13)18-19-8-3-9-20-18/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 653950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).