2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline

C18H21N5 — CID 95225378

IUPAC2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline
SMILESCCc1cn[nH]c1[C@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C18H21N5/c1-2-13-10-20-22-18(13)14-6-5-9-23(12-14)17-11-19-15-7-3-4-8-16(15)21-17/h3-4,7-8,10-11,14H,2,5-6,9,12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyMUXGVNXEYVVDAT-AWEZNQCLSA-N
MW307.40 g/mol
LogP3.30
Rot. Bonds3

About 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline

2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline (PubChem CID 95225378) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline
PubChem CID95225378
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline
SMILESCCc1cn[nH]c1[C@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C18H21N5/c1-2-13-10-20-22-18(13)14-6-5-9-23(12-14)17-11-19-15-7-3-4-8-16(15)21-17/h3-4,7-8,10-11,14H,2,5-6,9,12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyMUXGVNXEYVVDAT-AWEZNQCLSA-N
XLogP3.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
CID 146045794
3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole
CID 124883316
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine
CID 56722746
4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 95219965
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
CID 63390007
N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine
CID 56913561
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
4-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 95227792
4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56758097

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline?
The IUPAC name of 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline (CID 95225378) is 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline?
The canonical SMILES for 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline is CCc1cn[nH]c1[C@H]1CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline?
The InChIKey is MUXGVNXEYVVDAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-13-10-20-22-18(13)14-6-5-9-23(12-14)17-11-19-15-7-3-4-8-16(15)21-17/h3-4,7-8,10-11,14H,2,5-6,9,12H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline?
2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline has a molecular weight of 307.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline is sourced from PubChem (CID 95225378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).