1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid

C18H21N3O3 — CID 71564077

IUPAC1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCOCc1cc(N2CCC(C(=O)O)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H21N3O3/c1-24-12-15-11-16(21-9-7-14(8-10-21)18(22)23)20-17(19-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,22,23)
InChIKeyRQONKDAOXALHPB-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.59
Rot. Bonds5

About 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 71564077) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID71564077
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCOCc1cc(N2CCC(C(=O)O)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H21N3O3/c1-24-12-15-11-16(21-9-7-14(8-10-21)18(22)23)20-17(19-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,22,23)
InChIKeyRQONKDAOXALHPB-UHFFFAOYSA-N
XLogP2.59
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56767841
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 71564074
1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767437
6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268045
2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768552
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 56768103
4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine
CID 67464304
4-(methylsulfonylmethyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 1476707
1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 110277709
4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
CID 115914646
1-[6-(methoxymethyl)-2-(4-methylphenyl)pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 56767688

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid (CID 71564077) is 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid is COCc1cc(N2CCC(C(=O)O)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is RQONKDAOXALHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-12-15-11-16(21-9-7-14(8-10-21)18(22)23)20-17(19-15)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,22,23).
What are the key properties of 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 71564077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).