piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone

C25H28N4O — CID 67035179

IUPACpiperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1)N1CCCCC1
InChIInChI=1S/C25H28N4O/c30-25(29-14-5-2-6-15-29)21-9-7-8-19(16-21)20-10-11-22-23(17-20)27-24(18-26-22)28-12-3-1-4-13-28/h7-11,16-18H,1-6,12-15H2
InChIKeyHLTVQRKQYXMWBQ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.91
Rot. Bonds3

About piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone

piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone (PubChem CID 67035179) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
PubChem CID67035179
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Namepiperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1)N1CCCCC1
InChIInChI=1S/C25H28N4O/c30-25(29-14-5-2-6-15-29)21-9-7-8-19(16-21)20-10-11-22-23(17-20)27-24(18-26-22)28-12-3-1-4-13-28/h7-11,16-18H,1-6,12-15H2
InChIKeyHLTVQRKQYXMWBQ-UHFFFAOYSA-N
XLogP4.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 67035904
7-(3-chlorophenyl)-2-piperidin-1-ylquinoxaline
CID 67035242
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 123608556
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 147372579
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300412
2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol
CID 137154860
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone (CID 67035179) is piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone is O=C(c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone?
The InChIKey is HLTVQRKQYXMWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(29-14-5-2-6-15-29)21-9-7-8-19(16-21)20-10-11-22-23(17-20)27-24(18-26-22)28-12-3-1-4-13-28/h7-11,16-18H,1-6,12-15H2.
What are the key properties of piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone?
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone has a molecular weight of 400.53 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone is sourced from PubChem (CID 67035179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).