N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide

C14H19N3O6S — CID 19583470

IUPACN-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N3O6S/c1-23-13-8-11(17(19)20)5-6-12(13)15-14(18)10-4-3-7-16(9-10)24(2,21)22/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18)
InChIKeyBRSZBRGYKZNHFM-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.21
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 19583470) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID19583470
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC NameN-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N3O6S/c1-23-13-8-11(17(19)20)5-6-12(13)15-14(18)10-4-3-7-16(9-10)24(2,21)22/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18)
InChIKeyBRSZBRGYKZNHFM-UHFFFAOYSA-N
XLogP1.21
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
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

(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 41302269
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 6458686
(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 2243365
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 108745181
N-(2-methoxy-4-nitrophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830547
(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
(3S)-1-(2-methoxy-4-nitrophenyl)sulfonylpiperidin-3-ol
CID 107225013
N-(2-cyano-4-nitrophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513127
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3746097
1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815918

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 19583470) is N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is BRSZBRGYKZNHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c1-23-13-8-11(17(19)20)5-6-12(13)15-14(18)10-4-3-7-16(9-10)24(2,21)22/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 19583470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).