ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate

C16H27N3O2 — CID 171629434

IUPACethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate
SMILESCC.CCOC(=O)CC1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C14H21N3O2.C2H6/c1-3-19-13(18)8-12-4-6-17(7-5-12)14-15-9-11(2)10-16-14;1-2/h9-10,12H,3-8H2,1-2H3;1-2H3
InChIKeyIVLDDHHDYSMVLM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.98
Rot. Bonds4

About ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate

ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate (PubChem CID 171629434) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate
PubChem CID171629434
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nameethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate
SMILESCC.CCOC(=O)CC1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C14H21N3O2.C2H6/c1-3-19-13(18)8-12-4-6-17(7-5-12)14-15-9-11(2)10-16-14;1-2/h9-10,12H,3-8H2,1-2H3;1-2H3
InChIKeyIVLDDHHDYSMVLM-UHFFFAOYSA-N
XLogP2.98
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-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 ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate?
The IUPAC name of ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate (CID 171629434) is ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate.
What is the SMILES notation for ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate?
The canonical SMILES for ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate is CC.CCOC(=O)CC1CCN(c2ncc(C)cn2)CC1.
What is the InChIKey of ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate?
The InChIKey is IVLDDHHDYSMVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.C2H6/c1-3-19-13(18)8-12-4-6-17(7-5-12)14-15-9-11(2)10-16-14;1-2/h9-10,12H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate?
ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate has a molecular weight of 293.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate is sourced from PubChem (CID 171629434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).