1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H19F3N4O2 — CID 155874391

IUPAC1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(C1CC1)N1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)8-20-13(24)14(22-7-5-19-10-22)4-1-6-21(9-14)12(23)11-2-3-11/h5,7,10-11H,1-4,6,8-9H2,(H,20,24)
InChIKeyJVYTVORBMUSYPB-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.29
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 155874391) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID155874391
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(C1CC1)N1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)8-20-13(24)14(22-7-5-19-10-22)4-1-6-21(9-14)12(23)11-2-3-11/h5,7,10-11H,1-4,6,8-9H2,(H,20,24)
InChIKeyJVYTVORBMUSYPB-UHFFFAOYSA-N
XLogP1.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874031
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155875530
N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide
CID 155871687
4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155871135
4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155858208
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155874211
3-imidazol-1-yl-N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxamide
CID 155878712
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone
CID 145231630
1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875526
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95552903

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 155874391) is 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(C1CC1)N1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is JVYTVORBMUSYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)8-20-13(24)14(22-7-5-19-10-22)4-1-6-21(9-14)12(23)11-2-3-11/h5,7,10-11H,1-4,6,8-9H2,(H,20,24).
What are the key properties of 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155874391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).