2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid

C14H21N3O3 — CID 136958773

IUPAC2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid
SMILESCC(C)c1nc(N2CCCC(CC(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9(2)14-15-11(7-12(18)16-14)17-5-3-4-10(8-17)6-13(19)20/h7,9-10H,3-6,8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyCOWVWEPHZHALIJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid

2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid (PubChem CID 136958773) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid
PubChem CID136958773
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid
SMILESCC(C)c1nc(N2CCCC(CC(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9(2)14-15-11(7-12(18)16-14)17-5-3-4-10(8-17)6-13(19)20/h7,9-10H,3-6,8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyCOWVWEPHZHALIJ-UHFFFAOYSA-N
XLogP1.58
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid (CID 136958773) is 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid is CC(C)c1nc(N2CCCC(CC(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is COWVWEPHZHALIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)14-15-11(7-12(18)16-14)17-5-3-4-10(8-17)6-13(19)20/h7,9-10H,3-6,8H2,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid?
2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 136958773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).