methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

C14H21N3O3 — CID 137007567

IUPACmethyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCCc1nc(N2CCCCC2CC(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-3-11-15-12(9-13(18)16-11)17-7-5-4-6-10(17)8-14(19)20-2/h9-10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyKQAFJNSCPOJVLR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate

methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 137007567) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID137007567
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCCc1nc(N2CCCCC2CC(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-3-11-15-12(9-13(18)16-11)17-7-5-4-6-10(17)8-14(19)20-2/h9-10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyKQAFJNSCPOJVLR-UHFFFAOYSA-N
XLogP1.25
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate 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 methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate (CID 137007567) is methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is CCc1nc(N2CCCCC2CC(=O)OC)cc(=O)[nH]1.
What is the InChIKey of methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is KQAFJNSCPOJVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-11-15-12(9-13(18)16-11)17-7-5-4-6-10(17)8-14(19)20-2/h9-10H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 137007567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).