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

C16H17F3N4O2S — CID 155873868

IUPAC4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(c1ccsc1)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)10-21-14(25)15(23-7-4-20-11-23)2-5-22(6-3-15)13(24)12-1-8-26-9-12/h1,4,7-9,11H,2-3,5-6,10H2,(H,21,25)
InChIKeyMKFVWGOQLOJIIU-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.25
Rot. Bonds4

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

4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155873868) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155873868
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(c1ccsc1)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)10-21-14(25)15(23-7-4-20-11-23)2-5-22(6-3-15)13(24)12-1-8-26-9-12/h1,4,7-9,11H,2-3,5-6,10H2,(H,21,25)
InChIKeyMKFVWGOQLOJIIU-UHFFFAOYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-Propan-2-ylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53618962
4-(3-Imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 56801174
(4S)-N-ethyl-4-[(1H-imidazol-1-ylacetyl)amino]-1-(3-thienylmethyl)-L-prolinamide
CID 72895326
(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)(thiophen-3-yl)methanone
CID 71800875
N-[[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 95216579
N-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 38342814
N-[4-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 56453328
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-3-carboxamide
CID 60417739
[9-[(1-Methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839281
[2-[(1-Methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847346
4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155871121
3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155871214

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155873868) is 4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(c1ccsc1)N1CCC(C(=O)NCC(F)(F)F)(n2ccnc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is MKFVWGOQLOJIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)10-21-14(25)15(23-7-4-20-11-23)2-5-22(6-3-15)13(24)12-1-8-26-9-12/h1,4,7-9,11H,2-3,5-6,10H2,(H,21,25).
What are the key properties of 4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-imidazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 2.25, 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-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155873868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).