(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid

C14H19N3O3 — CID 125137080

IUPAC(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1ncncc1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9(2)12-11(6-15-8-16-12)13(18)17-5-3-4-10(7-17)14(19)20/h6,8-10H,3-5,7H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyXYPSBYKTKDAASI-SNVBAGLBSA-N
MW277.32 g/mol
LogP1.54
Rot. Bonds3

About (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 125137080) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID125137080
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1ncncc1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9(2)12-11(6-15-8-16-12)13(18)17-5-3-4-10(7-17)14(19)20/h6,8-10H,3-5,7H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyXYPSBYKTKDAASI-SNVBAGLBSA-N
XLogP1.54
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148639
1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349556
(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 125118699
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 125134277
(3R,4R)-4-cyclopropyl-1-(4-propan-2-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978340
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
(4-propan-2-ylpyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56820106
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 62087401
(3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 81127032

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid (CID 125137080) is (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid is CC(C)c1ncncc1C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is XYPSBYKTKDAASI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)12-11(6-15-8-16-12)13(18)17-5-3-4-10(7-17)14(19)20/h6,8-10H,3-5,7H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 125137080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).