ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate

C20H30N4O4 — CID 53189246

IUPACethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1
InChIInChI=1S/C20H30N4O4/c1-3-28-19(26)16-7-12-24(13-8-16)18(25)14-15-5-10-23(11-6-15)17-4-9-21-20(22-17)27-2/h4,9,15-16H,3,5-8,10-14H2,1-2H3
InChIKeyHSMICNMBGLLEGH-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.89
Rot. Bonds6

About ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate (PubChem CID 53189246) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate
PubChem CID53189246
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nameethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1
InChIInChI=1S/C20H30N4O4/c1-3-28-19(26)16-7-12-24(13-8-16)18(25)14-15-5-10-23(11-6-15)17-4-9-21-20(22-17)27-2/h4,9,15-16H,3,5-8,10-14H2,1-2H3
InChIKeyHSMICNMBGLLEGH-UHFFFAOYSA-N
XLogP1.89
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate 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 ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate (CID 53189246) is ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC2CCN(c3ccnc(OC)n3)CC2)CC1.
What is the InChIKey of ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is HSMICNMBGLLEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-3-28-19(26)16-7-12-24(13-8-16)18(25)14-15-5-10-23(11-6-15)17-4-9-21-20(22-17)27-2/h4,9,15-16H,3,5-8,10-14H2,1-2H3.
What are the key properties of ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 53189246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).