4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid

C16H25N3O2 — CID 114427593

IUPAC4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2nc(C)cc(C(C)C)n2)C(C(=O)O)C1
InChIInChI=1S/C16H25N3O2/c1-5-12-6-7-19(14(9-12)15(20)21)16-17-11(4)8-13(18-16)10(2)3/h8,10,12,14H,5-7,9H2,1-4H3,(H,20,21)
InChIKeyYKEDWIIPQWOSFV-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.99
Rot. Bonds4

About 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid

4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid (PubChem CID 114427593) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid
PubChem CID114427593
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2nc(C)cc(C(C)C)n2)C(C(=O)O)C1
InChIInChI=1S/C16H25N3O2/c1-5-12-6-7-19(14(9-12)15(20)21)16-17-11(4)8-13(18-16)10(2)3/h8,10,12,14H,5-7,9H2,1-4H3,(H,20,21)
InChIKeyYKEDWIIPQWOSFV-UHFFFAOYSA-N
XLogP2.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636
4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690
1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427658
1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427497
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 146127363
(3S,4S)-4-methyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 114085569
4-ethyl-1-(4-methylsulfonylphenyl)piperidine-2-carboxylic acid
CID 114427648
N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 113491546
4-ethyl-1-(2-methyl-5-nitrophenyl)piperidine-2-carboxylic acid
CID 114427517

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid (CID 114427593) is 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid is CCC1CCN(c2nc(C)cc(C(C)C)n2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is YKEDWIIPQWOSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-12-6-7-19(14(9-12)15(20)21)16-17-11(4)8-13(18-16)10(2)3/h8,10,12,14H,5-7,9H2,1-4H3,(H,20,21).
What are the key properties of 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid?
4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 291.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114427593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).