1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid

C13H17N3O2 — CID 91623620

IUPAC1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C13H17N3O2/c17-13(18)10-2-1-5-16(7-10)12-6-11(9-3-4-9)14-8-15-12/h6,8-10H,1-5,7H2,(H,17,18)
InChIKeyVYEFIGNHQKUSDI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.65
Rot. Bonds3

About 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid

1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 91623620) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID91623620
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C13H17N3O2/c17-13(18)10-2-1-5-16(7-10)12-6-11(9-3-4-9)14-8-15-12/h6,8-10H,1-5,7H2,(H,17,18)
InChIKeyVYEFIGNHQKUSDI-UHFFFAOYSA-N
XLogP1.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 91623620) is 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is VYEFIGNHQKUSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13(18)10-2-1-5-16(7-10)12-6-11(9-3-4-9)14-8-15-12/h6,8-10H,1-5,7H2,(H,17,18).
What are the key properties of 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 91623620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).