3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide

C20H21N5O — CID 11772395

IUPAC3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H21N5O/c21-19(26)18-20(24-17-7-3-2-6-16(17)23-18)22-14-8-10-15(11-9-14)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H2,21,26)(H,22,24)
InChIKeyFOKNOVKLFABKCC-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide

3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide (PubChem CID 11772395) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
PubChem CID11772395
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H21N5O/c21-19(26)18-20(24-17-7-3-2-6-16(17)23-18)22-14-8-10-15(11-9-14)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H2,21,26)(H,22,24)
InChIKeyFOKNOVKLFABKCC-UHFFFAOYSA-N
XLogP3.46
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
3-(2-morpholin-4-ylanilino)quinoxaline-2-carboxamide
CID 11175504
5-(cyclobutylamino)-3-(4-pyrrolidin-1-ylanilino)-1,2,4-triazine-6-carboxamide
CID 76902551
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
3-[4-(4-aminopiperidin-1-yl)anilino]-5-methoxy-6-phenylpyrazine-2-carboxamide
CID 168769361
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
carbamic acid;1-phenylpiperidine
CID 161473217
2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 147644204
5-chloro-3-[4-(4-methyl-1,4-azaborinan-1-yl)anilino]pyrazine-2-carboxamide
CID 87092140
3-[4-morpholin-4-yl-3-(pyridine-3-carbonylamino)anilino]quinoxaline-2-carboxamide
CID 11202203
5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide
CID 167334977
5-[[(1R,2R)-2-hydroxycyclopentyl]amino]-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6-phenylpyrazine-2-carboxamide
CID 168769391

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide?
The IUPAC name of 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide (CID 11772395) is 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide is NC(=O)c1nc2ccccc2nc1Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide?
The InChIKey is FOKNOVKLFABKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-19(26)18-20(24-17-7-3-2-6-16(17)23-18)22-14-8-10-15(11-9-14)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2,(H2,21,26)(H,22,24).
What are the key properties of 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide?
3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide is sourced from PubChem (CID 11772395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).