[3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone

C23H26N4O — CID 24792932

IUPAC[3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C23H26N4O/c1-16(2)17-5-8-19(9-6-17)26-20-4-3-13-27(15-20)23(28)18-7-10-21-22(14-18)25-12-11-24-21/h5-12,14,16,20,26H,3-4,13,15H2,1-2H3
InChIKeyNWUZXAVKIFQCCM-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.47
Rot. Bonds4

About [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone

[3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 24792932) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID24792932
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C23H26N4O/c1-16(2)17-5-8-19(9-6-17)26-20-4-3-13-27(15-20)23(28)18-7-10-21-22(14-18)25-12-11-24-21/h5-12,14,16,20,26H,3-4,13,15H2,1-2H3
InChIKeyNWUZXAVKIFQCCM-UHFFFAOYSA-N
XLogP4.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone (CID 24792932) is [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone is CC(C)c1ccc(NC2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1.
What is the InChIKey of [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is NWUZXAVKIFQCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)17-5-8-19(9-6-17)26-20-4-3-13-27(15-20)23(28)18-7-10-21-22(14-18)25-12-11-24-21/h5-12,14,16,20,26H,3-4,13,15H2,1-2H3.
What are the key properties of [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone?
[3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 374.49 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylanilino)piperidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 24792932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).