1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C17H22N4O4S — CID 6621880

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-25-15-4-2-13(3-5-15)10-19-17(22)14-6-8-21(9-7-14)26(23,24)16-11-18-12-20-16/h2-5,11-12,14H,6-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyHLZYHMUUAQWDOT-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.14
Rot. Bonds6

About 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 6621880) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID6621880
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-25-15-4-2-13(3-5-15)10-19-17(22)14-6-8-21(9-7-14)26(23,24)16-11-18-12-20-16/h2-5,11-12,14H,6-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyHLZYHMUUAQWDOT-UHFFFAOYSA-N
XLogP1.14
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856435
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 92506301
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 15996204
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-[(4-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 7959643
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841
1-(4-methoxyphenyl)sulfonyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 133167706
1-(2-cyclopentylcyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 154842260
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 6621880) is 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HLZYHMUUAQWDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-25-15-4-2-13(3-5-15)10-19-17(22)14-6-8-21(9-7-14)26(23,24)16-11-18-12-20-16/h2-5,11-12,14H,6-10H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 6621880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).