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

C14H19N3O3 — CID 119349556

IUPAC1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)c1ncncc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-9(2)12-11(7-15-8-16-12)13(18)17-5-3-10(4-6-17)14(19)20/h7-10H,3-6H2,1-2H3,(H,19,20)
InChIKeyWUJAZNUSCBSGTD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.54
Rot. Bonds3

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

1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119349556) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID119349556
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)c1ncncc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-9(2)12-11(7-15-8-16-12)13(18)17-5-3-10(4-6-17)14(19)20/h7-10H,3-6H2,1-2H3,(H,19,20)
InChIKeyWUJAZNUSCBSGTD-UHFFFAOYSA-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
(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 125137080
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
(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)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 120745231
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone;hydrochloride
CID 120745230
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836362
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid (CID 119349556) is 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid is CC(C)c1ncncc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is WUJAZNUSCBSGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)12-11(7-15-8-16-12)13(18)17-5-3-10(4-6-17)14(19)20/h7-10H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-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 1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).