N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C20H26N4O3 — CID 648223

IUPACN-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-13-11-14(2)22-20(21-13)24-9-7-15(8-10-24)19(25)23-17-12-16(26-3)5-6-18(17)27-4/h5-6,11-12,15H,7-10H2,1-4H3,(H,23,25)
InChIKeyJXBQDCRFSSWLHF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.97
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 648223) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID648223
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-13-11-14(2)22-20(21-13)24-9-7-15(8-10-24)19(25)23-17-12-16(26-3)5-6-18(17)27-4/h5-6,11-12,15H,7-10H2,1-4H3,(H,23,25)
InChIKeyJXBQDCRFSSWLHF-UHFFFAOYSA-N
XLogP2.97
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 648223) is N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is COc1ccc(OC)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is JXBQDCRFSSWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-11-14(2)22-20(21-13)24-9-7-15(8-10-24)19(25)23-17-12-16(26-3)5-6-18(17)27-4/h5-6,11-12,15H,7-10H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.97, 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-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 648223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).