N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide

C18H23N5O6S — CID 55568502

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H23N5O6S/c1-29-16-6-5-14(11-17(16)30(27,28)22-8-3-2-4-9-22)20-18(24)7-10-21-13-15(12-19-21)23(25)26/h5-6,11-13H,2-4,7-10H2,1H3,(H,20,24)
InChIKeyCHPFYQBCNCMSEX-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.00
Rot. Bonds8

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 55568502) has the molecular formula C18H23N5O6S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID55568502
Molecular FormulaC18H23N5O6S
Molecular Weight437.48 g/mol
Exact Mass437.14
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H23N5O6S/c1-29-16-6-5-14(11-17(16)30(27,28)22-8-3-2-4-9-22)20-18(24)7-10-21-13-15(12-19-21)23(25)26/h5-6,11-13H,2-4,7-10H2,1H3,(H,20,24)
InChIKeyCHPFYQBCNCMSEX-UHFFFAOYSA-N
XLogP2.00
TPSA136.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 4215827
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
ethyl 3-[(4-methoxy-3-piperidin-1-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate
CID 26174256
N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide
CID 5033110
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrazol-1-ylacetamide
CID 39723835
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide (CID 55568502) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide is COc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is CHPFYQBCNCMSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O6S/c1-29-16-6-5-14(11-17(16)30(27,28)22-8-3-2-4-9-22)20-18(24)7-10-21-13-15(12-19-21)23(25)26/h5-6,11-13H,2-4,7-10H2,1H3,(H,20,24).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 437.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 55568502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).