1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide

C20H24N5O2+ — CID 8531125

IUPAC1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1
InChIInChI=1S/C20H23N5O2/c21-20(27)15-10-12-25(13-11-15)14-19(26)22-16-6-8-18(9-7-16)24-23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,21,27)(H,22,26)/p+1/b24-23+
InChIKeyAUVDXTJJSJSOCX-WCWDXBQESA-O
MW366.45 g/mol
LogP1.82
Rot. Bonds6

About 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide

1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide (PubChem CID 8531125) has the molecular formula C20H24N5O2+ and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide
PubChem CID8531125
Molecular FormulaC20H24N5O2+
Molecular Weight366.45 g/mol
Exact Mass366.19
IUPAC Name1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1
InChIInChI=1S/C20H23N5O2/c21-20(27)15-10-12-25(13-11-15)14-19(26)22-16-6-8-18(9-7-16)24-23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,21,27)(H,22,26)/p+1/b24-23+
InChIKeyAUVDXTJJSJSOCX-WCWDXBQESA-O
XLogP1.82
TPSA101.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxylate
CID 8931570
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 2400582
1-[2-(4-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531109
1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530759
1-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531098
methyl 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 9134299
1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531065
(3S)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305589
1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7809321
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
1-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134223
N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
CID 7141196

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide (CID 8531125) is 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is AUVDXTJJSJSOCX-WCWDXBQESA-O. The full InChI is InChI=1S/C20H23N5O2/c21-20(27)15-10-12-25(13-11-15)14-19(26)22-16-6-8-18(9-7-16)24-23-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,21,27)(H,22,26)/p+1/b24-23+.
What are the key properties of 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide?
1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8531125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).