3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

C15H23N3O2 — CID 72850419

IUPAC3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2ncncc2C(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-4-15(14(19)20)6-5-7-18(9-15)13-12(11(2)3)8-16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyKPCYEVLLMQAAMW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.68
Rot. Bonds4

About 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 72850419) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID72850419
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2ncncc2C(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-4-15(14(19)20)6-5-7-18(9-15)13-12(11(2)3)8-16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyKPCYEVLLMQAAMW-UHFFFAOYSA-N
XLogP2.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Amino-4-pyrimidinyl)-3-(3-methyl-2-buten-1-yl)-3-piperidinecarboxylic acid
CID 72859792
3-(3-Methyl-2-buten-1-yl)-1-(2-methyl-4-pyrimidinyl)-3-piperidinecarboxylic acid
CID 72937122
(3S)-8-(5-propan-2-ylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95725537
(3R)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97152625
(3S*,4S*)-4-cyclopropyl-1-(5-ethyl-2-methyl-4-pyrimidinyl)-3-pyrrolidinecarboxylic acid
CID 133111171
(2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 164638010
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405186
3-[2-(Dimethylamino)pyrimidin-5-yl]-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405332
3-(2-Methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405435
3-[2-[Methyl(propan-2-yl)amino]pyrimidin-5-yl]-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405546
(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 166025459

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 72850419) is 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2ncncc2C(C)C)C1.
What is the InChIKey of 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is KPCYEVLLMQAAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-15(14(19)20)6-5-7-18(9-15)13-12(11(2)3)8-16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72850419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).