3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

C18H28N4O3 — CID 72842446

IUPAC3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCc1cc(N2CCCC(CC)(C(=O)O)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H28N4O3/c1-3-14-12-15(20-17(19-14)21-8-10-25-11-9-21)22-7-5-6-18(4-2,13-22)16(23)24/h12H,3-11,13H2,1-2H3,(H,23,24)
InChIKeyPXVAAUGEYODQFX-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.96
Rot. Bonds5

About 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 72842446) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID72842446
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCc1cc(N2CCCC(CC)(C(=O)O)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H28N4O3/c1-3-14-12-15(20-17(19-14)21-8-10-25-11-9-21)22-7-5-6-18(4-2,13-22)16(23)24/h12H,3-11,13H2,1-2H3,(H,23,24)
InChIKeyPXVAAUGEYODQFX-UHFFFAOYSA-N
XLogP1.96
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
4-{2-Methyl-6-[1-(2-methylpentanoyl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 70758953
4-(6-Ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-methylpiperazine-2-carboxylic acid
CID 56712483
Ethyl 2-(6-morpholinopyrimidin-4-yl)acetate
CID 129857844
1-[6-Isopropyl-2-(trifluoromethyl)pyrimidin-4-YL]-4-(2-methoxyethyl)piperidine-4-carboxylic acid
CID 56868017
(3S)-2-acetyl-8-(2-methyl-6-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95713390
(3S)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95716613
2,2-dimethyl-1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95877157
1-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
CID 95891723
(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97135193
1-[6-Isopropyl-2-(trifluoromethyl)pyrimidin-4-YL]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 56880246
(3S)-3-(2-methoxyethyl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 95559912

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 72842446) is 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is CCc1cc(N2CCCC(CC)(C(=O)O)C2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is PXVAAUGEYODQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-14-12-15(20-17(19-14)21-8-10-25-11-9-21)22-7-5-6-18(4-2,13-22)16(23)24/h12H,3-11,13H2,1-2H3,(H,23,24).
What are the key properties of 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72842446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).