1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide

C21H28N4O3 — CID 644972

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3OCC)CC2)n1
InChIInChI=1S/C21H28N4O3/c1-4-27-18-9-7-6-8-17(18)23-20(26)16-10-12-25(13-11-16)21-22-15(3)14-19(24-21)28-5-2/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,23,26)
InChIKeyNPGJUWNHXPFWQW-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.44
Rot. Bonds7

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide

1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide (PubChem CID 644972) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
PubChem CID644972
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3OCC)CC2)n1
InChIInChI=1S/C21H28N4O3/c1-4-27-18-9-7-6-8-17(18)23-20(26)16-10-12-25(13-11-16)21-22-15(3)14-19(24-21)28-5-2/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,23,26)
InChIKeyNPGJUWNHXPFWQW-UHFFFAOYSA-N
XLogP3.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-4-(3-methoxypropyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one
CID 6914629
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647874
(2R)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647875
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647877
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-ethyl-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647883
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-diethyl-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647884
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 3224210
N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 655328
1-{2-Amino-6-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-pyrimidin-4-ylmethyl}-piperidin-2-one
CID 12134985
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647870
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647876
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2,5-diethoxy-phenyl)-amide
CID 647071

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide (CID 644972) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide is CCOc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3OCC)CC2)n1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is NPGJUWNHXPFWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-27-18-9-7-6-8-17(18)23-20(26)16-10-12-25(13-11-16)21-22-15(3)14-19(24-21)28-5-2/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,23,26).
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 644972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).