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

C18H21N3O2 — CID 71564056

IUPAC1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c1-2-15-11-16(21-10-6-9-14(12-21)18(22)23)20-17(19-15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,22,23)
InChIKeyFVXTYWXAXWNHPA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.01
Rot. Bonds4

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

1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 71564056) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID71564056
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c1-2-15-11-16(21-10-6-9-14(12-21)18(22)23)20-17(19-15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,22,23)
InChIKeyFVXTYWXAXWNHPA-UHFFFAOYSA-N
XLogP3.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767537
1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767542
1-[2-(4-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56767841
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 71564077
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549353
2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133355905

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 71564056) is 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid is CCc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is FVXTYWXAXWNHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-15-11-16(21-10-6-9-14(12-21)18(22)23)20-17(19-15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,22,23).
What are the key properties of 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 71564056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).