4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C17H19F3N4O3 — CID 155858208

IUPAC4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1ccoc1C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1
InChIInChI=1S/C17H19F3N4O3/c1-12-2-9-27-13(12)14(25)23-6-3-16(4-7-23,24-8-5-21-11-24)15(26)22-10-17(18,19)20/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,22,26)
InChIKeyAVWFEAKYQMRYIU-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.09
Rot. Bonds4

About 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155858208) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155858208
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1ccoc1C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1
InChIInChI=1S/C17H19F3N4O3/c1-12-2-9-27-13(12)14(25)23-6-3-16(4-7-23,24-8-5-21-11-24)15(26)22-10-17(18,19)20/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,22,26)
InChIKeyAVWFEAKYQMRYIU-UHFFFAOYSA-N
XLogP2.09
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155871135
3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874031
1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874391
(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304339
1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155874211
[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 47024563
N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155873982
4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871591
4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
CID 56884519
4-imidazol-1-yl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 155879722
4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 155872596
(3-methylfuran-2-yl)-[(4R)-4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 98894349

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155858208) is 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cc1ccoc1C(=O)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is AVWFEAKYQMRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-12-2-9-27-13(12)14(25)23-6-3-16(4-7-23,24-8-5-21-11-24)15(26)22-10-17(18,19)20/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,22,26).
What are the key properties of 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155858208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).