1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide

C20H26N4O2 — CID 3224217

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-4-26-18-9-7-17(8-10-18)23-19(25)16-6-5-11-24(13-16)20-21-14(2)12-15(3)22-20/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,25)
InChIKeyDPKBNKLEMZFHOS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.35
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide (PubChem CID 3224217) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
PubChem CID3224217
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-4-26-18-9-7-17(8-10-18)23-19(25)16-6-5-11-24(13-16)20-21-14(2)12-15(3)22-20/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,25)
InChIKeyDPKBNKLEMZFHOS-UHFFFAOYSA-N
XLogP3.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide (CID 3224217) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide is CCOc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is DPKBNKLEMZFHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-26-18-9-7-17(8-10-18)23-19(25)16-6-5-11-24(13-16)20-21-14(2)12-15(3)22-20/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3224217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).