1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid

C14H20N4O2 — CID 51046231

IUPAC1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nccc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H20N4O2/c19-13(20)11-4-9-18(10-5-11)14-15-6-3-12(16-14)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-10H2,(H,19,20)
InChIKeyHJEQVLCJPNATPF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.38
Rot. Bonds3

About 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid

1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 51046231) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID51046231
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nccc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H20N4O2/c19-13(20)11-4-9-18(10-5-11)14-15-6-3-12(16-14)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-10H2,(H,19,20)
InChIKeyHJEQVLCJPNATPF-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 51046231) is 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2nccc(N3CCCC3)n2)CC1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is HJEQVLCJPNATPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13(20)11-4-9-18(10-5-11)14-15-6-3-12(16-14)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-10H2,(H,19,20).
What are the key properties of 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 51046231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).