ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate

C15H25N3O2 — CID 143917578

IUPACethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCC.CCOC(=O)C1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C13H19N3O2.C2H6/c1-3-18-12(17)11-4-6-16(7-5-11)13-14-8-10(2)9-15-13;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3
InChIKeyCKSGXXPTORDFSI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.59
Rot. Bonds3

About ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate

ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 143917578) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID143917578
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCC.CCOC(=O)C1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C13H19N3O2.C2H6/c1-3-18-12(17)11-4-6-16(7-5-11)13-14-8-10(2)9-15-13;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3
InChIKeyCKSGXXPTORDFSI-UHFFFAOYSA-N
XLogP2.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate
CID 3078665
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
ethyl 1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidine-4-carboxylate
CID 68775709
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
[2-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 142400989
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate (CID 143917578) is ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate is CC.CCOC(=O)C1CCN(c2ncc(C)cn2)CC1.
What is the InChIKey of ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is CKSGXXPTORDFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.C2H6/c1-3-18-12(17)11-4-6-16(7-5-11)13-14-8-10(2)9-15-13;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate?
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 143917578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).