N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide

C21H26N4O5S — CID 20674782

IUPACN-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide
SMILESCN(CCCc1cccnc1)C(=O)C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H26N4O5S/c1-23(14-5-7-17-6-4-13-22-16-17)21(26)20-8-2-3-15-24(20)31(29,30)19-11-9-18(10-12-19)25(27)28/h4,6,9-13,16,20H,2-3,5,7-8,14-15H2,1H3
InChIKeyOUIYSNANZXHTNN-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.62
Rot. Bonds8

About N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide

N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide (PubChem CID 20674782) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide
PubChem CID20674782
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide
SMILESCN(CCCc1cccnc1)C(=O)C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H26N4O5S/c1-23(14-5-7-17-6-4-13-22-16-17)21(26)20-8-2-3-15-24(20)31(29,30)19-11-9-18(10-12-19)25(27)28/h4,6,9-13,16,20H,2-3,5,7-8,14-15H2,1H3
InChIKeyOUIYSNANZXHTNN-UHFFFAOYSA-N
XLogP2.62
TPSA113.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-{[4-(4-pyridylmethyl)piperazino]sulfonyl}phenyl)acetamide
CID 1341058
[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 2102315
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 4611324
(R)-2-(4-nitrophenylsulfonamido-N-(pyridin-3-ylmethyl))-Nhydroxy-3-methylbutanamide
CID 10364088
(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 23657419
N-(2-morpholino-2-(pyridin-3-yl)ethyl)-4-nitrobenzenesulfonamide
CID 16188333
1-{[4-(acetylamino)phenyl]sulfonyl}-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 17583547
2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-pyridin-3-ylacetamide
CID 1306878
N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)pyridine-3-sulfonamide
CID 3240237
N1-(pyridin-3-ylmethyl)-N2-(2-(1-tosylpiperidin-2-yl)ethyl)oxalamide
CID 18574391
1-[4-(5-Isoquinolylsulfonyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 155564084
(2S)-1-[(4-fluorophenyl)methylsulfonyl]-N-[(2S)-4-methyl-1-[(1-oxidopyridin-1-ium-3-yl)methylamino]-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 169192565

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide (CID 20674782) is N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide is CN(CCCc1cccnc1)C(=O)C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide?
The InChIKey is OUIYSNANZXHTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-23(14-5-7-17-6-4-13-22-16-17)21(26)20-8-2-3-15-24(20)31(29,30)19-11-9-18(10-12-19)25(27)28/h4,6,9-13,16,20H,2-3,5,7-8,14-15H2,1H3.
What are the key properties of N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide?
N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-nitrophenyl)sulfonyl-N-(3-pyridin-3-ylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 20674782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).