N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide

C16H25F3N4O — CID 56787451

IUPACN-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCCN1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C16H25F3N4O/c1-15(2,3)21-14(24)12-6-4-5-8-22(12)10-13-20-7-9-23(13)11-16(17,18)19/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,21,24)
InChIKeyNJEWAKDKQWDTII-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.71
Rot. Bonds4

About N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide

N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide (PubChem CID 56787451) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide
PubChem CID56787451
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC NameN-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCCN1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C16H25F3N4O/c1-15(2,3)21-14(24)12-6-4-5-8-22(12)10-13-20-7-9-23(13)11-16(17,18)19/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,21,24)
InChIKeyNJEWAKDKQWDTII-UHFFFAOYSA-N
XLogP2.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
CID 44054736
Pyrrolidin-1-yl-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanone
CID 53553936
1-(Azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53554684
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53561071
N-cyclohexyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53571950
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide
CID 56778639
1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56789695
2-(Tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
CID 56824877
N-(2-acetamidoethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 72144067
2-(2-oxoazepan-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150074
N,N-dimethyl-2-{2-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-imidazol-1-yl}ethanamine
CID 72853722

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide (CID 56787451) is N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide is CC(C)(C)NC(=O)C1CCCCN1Cc1nccn1CC(F)(F)F.
What is the InChIKey of N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide?
The InChIKey is NJEWAKDKQWDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-15(2,3)21-14(24)12-6-4-5-8-22(12)10-13-20-7-9-23(13)11-16(17,18)19/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide?
N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 56787451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).