1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide

C17H22N4O4S — CID 5309093

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
InChIInChI=1S/C17H22N4O4S/c1-25-15-6-2-4-13(8-15)9-19-17(22)14-5-3-7-21(11-14)26(23,24)16-10-18-12-20-16/h2,4,6,8,10,12,14H,3,5,7,9,11H2,1H3,(H,18,20)(H,19,22)
InChIKeyURNHOWGTBDZMBN-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.14
Rot. Bonds6

About 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 5309093) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID5309093
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
InChIInChI=1S/C17H22N4O4S/c1-25-15-6-2-4-13(8-15)9-19-17(22)14-5-3-7-21(11-14)26(23,24)16-10-18-12-20-16/h2,4,6,8,10,12,14H,3,5,7,9,11H2,1H3,(H,18,20)(H,19,22)
InChIKeyURNHOWGTBDZMBN-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~-(1H-imidazol-4-ylsulfonyl)-N~1~-(3-methoxybenzyl)-N~2~-methylglycinamide
CID 3239582
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3240290
1-(1H-imidazol-5-ylsulfonyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 5307441
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 5307461
N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5307984
[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 5309632
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 9551091
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 16020407
US9656955, Example 661
CID 90405216
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 16020395
N-(4-methoxybenzyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 16027961
N-[(4-Ethoxy-3-methoxyphenyl)methyl]-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 16028046

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 5309093) is 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is URNHOWGTBDZMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-25-15-6-2-4-13(8-15)9-19-17(22)14-5-3-7-21(11-14)26(23,24)16-10-18-12-20-16/h2,4,6,8,10,12,14H,3,5,7,9,11H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-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-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 5309093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).