N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

C17H22N4O5S — CID 20856435

IUPACN-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1
InChIInChI=1S/C17H22N4O5S/c1-25-13-3-4-15(26-2)14(9-13)20-17(22)12-5-7-21(8-6-12)27(23,24)16-10-18-11-19-16/h3-4,9-12H,5-8H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyPDNLWSZIZRACDN-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.47
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 20856435) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID20856435
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1
InChIInChI=1S/C17H22N4O5S/c1-25-13-3-4-15(26-2)14(9-13)20-17(22)12-5-7-21(8-6-12)27(23,24)16-10-18-11-19-16/h3-4,9-12H,5-8H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyPDNLWSZIZRACDN-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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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 6621880
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075516
N-(2,5-dimethoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26414520
1-(1H-imidazol-5-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 20856442
N-(2,5-dichlorophenyl)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 126326321
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
ethyl 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate
CID 53009420
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55675300

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 20856435) is N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is PDNLWSZIZRACDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-25-13-3-4-15(26-2)14(9-13)20-17(22)12-5-7-21(8-6-12)27(23,24)16-10-18-11-19-16/h3-4,9-12H,5-8H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-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-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20856435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).