N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C17H22N4O5S — CID 5307984

IUPACN-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc(OC)c1
InChIInChI=1S/C17H22N4O5S/c1-25-14-6-13(7-15(8-14)26-2)20-17(22)12-4-3-5-21(10-12)27(23,24)16-9-18-11-19-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyXBEDAGBQTSTNTE-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.47
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5307984) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5307984
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc(OC)c1
InChIInChI=1S/C17H22N4O5S/c1-25-14-6-13(7-15(8-14)26-2)20-17(22)12-4-3-5-21(10-12)27(23,24)16-9-18-11-19-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyXBEDAGBQTSTNTE-UHFFFAOYSA-N
XLogP1.47
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5307984) is N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is COc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is XBEDAGBQTSTNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-25-14-6-13(7-15(8-14)26-2)20-17(22)12-4-3-5-21(10-12)27(23,24)16-9-18-11-19-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5307984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).