1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid

C15H21N3O4 — CID 131901141

IUPAC1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C15H21N3O4/c1-9(2)7-10-8-11(17-15(22)16-10)13(19)18-6-4-3-5-12(18)14(20)21/h8-9,12H,3-7H2,1-2H3,(H,20,21)(H,16,17,22)
InChIKeyUZOZCPCIHYYQLN-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.05
Rot. Bonds4

About 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid

1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid (PubChem CID 131901141) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid
PubChem CID131901141
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C15H21N3O4/c1-9(2)7-10-8-11(17-15(22)16-10)13(19)18-6-4-3-5-12(18)14(20)21/h8-9,12H,3-7H2,1-2H3,(H,20,21)(H,16,17,22)
InChIKeyUZOZCPCIHYYQLN-UHFFFAOYSA-N
XLogP1.05
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid
CID 43171093
3-[4,6-Dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid
CID 62092340
(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid
CID 66264131
(2R)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid
CID 79035292
1-[3-(2-Hydroxy-4,6-dimethylpyrimidin-5-YL)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 86285090
(4-{[(6-Isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]amino}piperidin-1-yl)acetic acid
CID 91840174
(2S)-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 99974094
(2R)-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 99974095
(2S)-1-[(6-isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]pyrrolidine-2-carboxylic acid
CID 131938788

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid (CID 131901141) is 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid is CC(C)Cc1cc(C(=O)N2CCCCC2C(=O)O)nc(=O)[nH]1.
What is the InChIKey of 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is UZOZCPCIHYYQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-9(2)7-10-8-11(17-15(22)16-10)13(19)18-6-4-3-5-12(18)14(20)21/h8-9,12H,3-7H2,1-2H3,(H,20,21)(H,16,17,22).
What are the key properties of 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid?
1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 131901141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).