1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid

C14H20N4O2 — CID 50742583

IUPAC1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C14H20N4O2/c19-13(20)11-3-7-17(8-4-11)12-9-15-14(16-10-12)18-5-1-2-6-18/h9-11H,1-8H2,(H,19,20)
InChIKeyGVIRWWBYLFQHNK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.38
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid

1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid (PubChem CID 50742583) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid
PubChem CID50742583
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C14H20N4O2/c19-13(20)11-3-7-17(8-4-11)12-9-15-14(16-10-12)18-5-1-2-6-18/h9-11H,1-8H2,(H,19,20)
InChIKeyGVIRWWBYLFQHNK-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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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
Piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53146162
[1-[4-(Dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53165585
1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 71778750
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22721856
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
(3S)-3-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 142475865
4-Fluoro-1-pyrimidin-2-ylpiperidine-4-carboxylic acid
CID 142475990
(3S,4S)-3-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 146494497
1-[5-Fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823461
1-[5-Fluoro-4-(2-methylimidazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581439
1-(5-fluoropyrimidin-2-yl)-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56910367

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid (CID 50742583) is 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cnc(N3CCCC3)nc2)CC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid?
The InChIKey is GVIRWWBYLFQHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13(20)11-3-7-17(8-4-11)12-9-15-14(16-10-12)18-5-1-2-6-18/h9-11H,1-8H2,(H,19,20).
What are the key properties of 1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid?
1-(2-pyrrolidin-1-ylpyrimidin-5-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-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 50742583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).