(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C14H20N4O2 — CID 94074788

IUPAC(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C14H20N4O2/c19-14(20)11-5-4-8-18(11)13-9-12(15-10-16-13)17-6-2-1-3-7-17/h9-11H,1-8H2,(H,19,20)/t11-/m1/s1
InChIKeyRIVJSOYRAKYRFO-LLVKDONJSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds3

About (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 94074788) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID94074788
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C14H20N4O2/c19-14(20)11-5-4-8-18(11)13-9-12(15-10-16-13)17-6-2-1-3-7-17/h9-11H,1-8H2,(H,19,20)/t11-/m1/s1
InChIKeyRIVJSOYRAKYRFO-LLVKDONJSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
(2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122051662
(2S)-1-[6-(2-hydroxypropylamino)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122059757
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 94074788) is (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1cc(N2CCCCC2)ncn1.
What is the InChIKey of (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is RIVJSOYRAKYRFO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-14(20)11-5-4-8-18(11)13-9-12(15-10-16-13)17-6-2-1-3-7-17/h9-11H,1-8H2,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 94074788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).