1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid

C14H19N3O2 — CID 116976080

IUPAC1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncc(C3CCC3)cn2)C1
InChIInChI=1S/C14H19N3O2/c18-13(19)11-5-2-6-17(9-11)14-15-7-12(8-16-14)10-3-1-4-10/h7-8,10-11H,1-6,9H2,(H,18,19)
InChIKeyDORIFALHRUWZNI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.05
Rot. Bonds3

About 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid

1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 116976080) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID116976080
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncc(C3CCC3)cn2)C1
InChIInChI=1S/C14H19N3O2/c18-13(19)11-5-2-6-17(9-11)14-15-7-12(8-16-14)10-3-1-4-10/h7-8,10-11H,1-6,9H2,(H,18,19)
InChIKeyDORIFALHRUWZNI-UHFFFAOYSA-N
XLogP2.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740
[1-(5-cyclobutylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 116976106
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
1-(4-methyl-5-nitropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122051004
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
CID 103197016
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
1-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3-carboxylic acid
CID 69425487
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid (CID 116976080) is 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncc(C3CCC3)cn2)C1.
What is the InChIKey of 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is DORIFALHRUWZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(19)11-5-2-6-17(9-11)14-15-7-12(8-16-14)10-3-1-4-10/h7-8,10-11H,1-6,9H2,(H,18,19).
What are the key properties of 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid?
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 116976080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).