N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide

C21H26N4O3S — CID 55647265

IUPACN-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C21H26N4O3S/c1-2-15-29(27,28)25-14-6-7-17(16-25)21(26)22-18-10-12-20(13-11-18)24-23-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-16H2,1H3,(H,22,26)/b24-23+
InChIKeyGAHFDVWQYQCNGM-WCWDXBQESA-N
MW414.53 g/mol
LogP4.49
Rot. Bonds7

About N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide

N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55647265) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55647265
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C21H26N4O3S/c1-2-15-29(27,28)25-14-6-7-17(16-25)21(26)22-18-10-12-20(13-11-18)24-23-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-16H2,1H3,(H,22,26)/b24-23+
InChIKeyGAHFDVWQYQCNGM-WCWDXBQESA-N
XLogP4.49
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 42959127
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55759678
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55647241

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 55647265) is N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1.
What is the InChIKey of N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is GAHFDVWQYQCNGM-WCWDXBQESA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-2-15-29(27,28)25-14-6-7-17(16-25)21(26)22-18-10-12-20(13-11-18)24-23-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-16H2,1H3,(H,22,26)/b24-23+.
What are the key properties of N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55647265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).