2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline

C21H26N6 — CID 127741692

IUPAC2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
SMILESc1ccc2nc(N3CCCC(c4ncc[nH]4)C3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C21H26N6/c1-4-12-26(13-5-1)20-21(25-18-9-3-2-8-17(18)24-20)27-14-6-7-16(15-27)19-22-10-11-23-19/h2-3,8-11,16H,1,4-7,12-15H2,(H,22,23)
InChIKeyATVDWVKQJPQIQG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.73
Rot. Bonds3

About 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline (PubChem CID 127741692) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
PubChem CID127741692
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
SMILESc1ccc2nc(N3CCCC(c4ncc[nH]4)C3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C21H26N6/c1-4-12-26(13-5-1)20-21(25-18-9-3-2-8-17(18)24-20)27-14-6-7-16(15-27)19-22-10-11-23-19/h2-3,8-11,16H,1,4-7,12-15H2,(H,22,23)
InChIKeyATVDWVKQJPQIQG-UHFFFAOYSA-N
XLogP3.73
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347
2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol
CID 72881394
4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 133448375
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one
CID 129352976
4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
CID 133430774
3-chloro-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzonitrile
CID 133448430
N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133448349
2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 97268730
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133448356
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
CID 70720553
4-(difluoromethyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 166270987

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline (CID 127741692) is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline is c1ccc2nc(N3CCCC(c4ncc[nH]4)C3)c(N3CCCCC3)nc2c1.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline?
The InChIKey is ATVDWVKQJPQIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-4-12-26(13-5-1)20-21(25-18-9-3-2-8-17(18)24-20)27-14-6-7-16(15-27)19-22-10-11-23-19/h2-3,8-11,16H,1,4-7,12-15H2,(H,22,23).
What are the key properties of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline?
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline has a molecular weight of 362.48 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline is sourced from PubChem (CID 127741692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).