tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane

C20H32N4O2 — CID 91375030

IUPACtert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane
SMILESCC.Cc1nccn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C18H26N4O2.C2H6/c1-13-16-20-14(12-21(16)10-8-19-13)11-15-7-5-6-9-22(15)17(23)24-18(2,3)4;1-2/h8,10,12,15H,5-7,9,11H2,1-4H3;1-2H3/t15-;/m0./s1
InChIKeyXAWUKGBZUPFKBB-RSAXXLAASA-N
MW360.50 g/mol
LogP4.40
Rot. Bonds2

About tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane

tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane (PubChem CID 91375030) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane
PubChem CID91375030
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Nametert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane
SMILESCC.Cc1nccn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C18H26N4O2.C2H6/c1-13-16-20-14(12-21(16)10-8-19-13)11-15-7-5-6-9-22(15)17(23)24-18(2,3)4;1-2/h8,10,12,15H,5-7,9,11H2,1-4H3;1-2H3/t15-;/m0./s1
InChIKeyXAWUKGBZUPFKBB-RSAXXLAASA-N
XLogP4.40
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 97160520
tert-butyl (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67284356
tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67286677
tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate
CID 171813901
tert-butyl (2R,4S)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate
CID 171813965
Tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
CID 176509576
Tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate
CID 10020726
Ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
CID 20814355
Ethyl 4-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
CID 20814359
Tert-butyl 4-(7-acetyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate
CID 23084022
Tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate
CID 23084266
Tert-butyl 4-(imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate
CID 23084274

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane (CID 91375030) is tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane is CC.Cc1nccn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12.
What is the InChIKey of tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane?
The InChIKey is XAWUKGBZUPFKBB-RSAXXLAASA-N. The full InChI is InChI=1S/C18H26N4O2.C2H6/c1-13-16-20-14(12-21(16)10-8-19-13)11-15-7-5-6-9-22(15)17(23)24-18(2,3)4;1-2/h8,10,12,15H,5-7,9,11H2,1-4H3;1-2H3/t15-;/m0./s1.
What are the key properties of tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane?
tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane has a molecular weight of 360.50 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 91375030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).