1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

C16H17F3N4O4S — CID 24789581

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H17F3N4O4S/c17-16(18,19)27-13-5-3-12(4-6-13)22-15(24)11-2-1-7-23(9-11)28(25,26)14-8-20-10-21-14/h3-6,8,10-11H,1-2,7,9H2,(H,20,21)(H,22,24)
InChIKeyDWGWCFPHGMDUDB-UHFFFAOYSA-N
MW418.40 g/mol
LogP2.35
Rot. Bonds5

About 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 24789581) has the molecular formula C16H17F3N4O4S and a molecular weight of 418.40 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
PubChem CID24789581
Molecular FormulaC16H17F3N4O4S
Molecular Weight418.40 g/mol
Exact Mass418.09
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H17F3N4O4S/c17-16(18,19)27-13-5-3-12(4-6-13)22-15(24)11-2-1-7-23(9-11)28(25,26)14-8-20-10-21-14/h3-6,8,10-11H,1-2,7,9H2,(H,20,21)(H,22,24)
InChIKeyDWGWCFPHGMDUDB-UHFFFAOYSA-N
XLogP2.35
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-isopropoxyphenyl)-2-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2-azabicyclo[2.2.2]octane-6-carboxamide
CID 45482507
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308794
1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 5309093
[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
2-[4-(pyrrolidin-1-ylsulfonyl)-1H-imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16027149
(1S,4S,6R)-2-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)-2-azabicyclo[2.2.2]octane-6-carboxamide
CID 44184500
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-p-phenetyl-acetamide
CID 16011827

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (CID 24789581) is 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is DWGWCFPHGMDUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O4S/c17-16(18,19)27-13-5-3-12(4-6-13)22-15(24)11-2-1-7-23(9-11)28(25,26)14-8-20-10-21-14/h3-6,8,10-11H,1-2,7,9H2,(H,20,21)(H,22,24).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 2.35, 5 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-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24789581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).