2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline

C18H21N5 — CID 70740842

IUPAC2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline
SMILESCCn1ccnc1C1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H21N5/c1-2-22-12-9-19-18(22)14-7-10-23(11-8-14)17-13-20-15-5-3-4-6-16(15)21-17/h3-6,9,12-14H,2,7-8,10-11H2,1H3
InChIKeyRUSGWKSPEYINIR-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.23
Rot. Bonds3

About 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline

2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline (PubChem CID 70740842) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline
PubChem CID70740842
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline
SMILESCCn1ccnc1C1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H21N5/c1-2-22-12-9-19-18(22)14-7-10-23(11-8-14)17-13-20-15-5-3-4-6-16(15)21-17/h3-6,9,12-14H,2,7-8,10-11H2,1H3
InChIKeyRUSGWKSPEYINIR-UHFFFAOYSA-N
XLogP3.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
CID 86773032
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
2-[2-(1-quinolin-2-ylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 72938350
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline
CID 72878008
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70725155
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
CID 163346437
4-ethyl-2-methyl-5-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]-1,2,4-triazol-3-one
CID 56719016
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
2-(1-quinoxalin-2-ylpiperidin-4-yl)oxyethanamine
CID 82692840
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline (CID 70740842) is 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline is CCn1ccnc1C1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline?
The InChIKey is RUSGWKSPEYINIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-22-12-9-19-18(22)14-7-10-23(11-8-14)17-13-20-15-5-3-4-6-16(15)21-17/h3-6,9,12-14H,2,7-8,10-11H2,1H3.
What are the key properties of 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline?
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline has a molecular weight of 307.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline is sourced from PubChem (CID 70740842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).