N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C15H23F3N4O — CID 49264892

IUPACN-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(C)Cn1ccnc1NC(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-11(2)9-22-8-5-19-14(22)20-13(23)12-3-6-21(7-4-12)10-15(16,17)18/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,19,20,23)
InChIKeySDDYVIPBTBCVNT-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 49264892) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID49264892
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC NameN-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(C)Cn1ccnc1NC(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-11(2)9-22-8-5-19-14(22)20-13(23)12-3-6-21(7-4-12)10-15(16,17)18/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,19,20,23)
InChIKeySDDYVIPBTBCVNT-UHFFFAOYSA-N
XLogP2.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 126793994
(4S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 154759445
cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide
CID 95153281
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 97346848
N-(dicyclopropylmethyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106568922
4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide
CID 119762499
N-(1-ethylimidazol-2-yl)azetidine-2-carboxamide
CID 130964367
N-(2-cyclopentylethyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106563409
1-(2-methylpropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565060
N-(3-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106582532
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 47055020

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 49264892) is N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CC(C)Cn1ccnc1NC(=O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is SDDYVIPBTBCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-11(2)9-22-8-5-19-14(22)20-13(23)12-3-6-21(7-4-12)10-15(16,17)18/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,19,20,23).
What are the key properties of N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 49264892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).