[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone

C16H24F2N4O — CID 126803909

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone
SMILESCC1(C)CC(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)C1
InChIInChI=1S/C16H24F2N4O/c1-16(2)9-12(10-16)14(23)21-7-5-20(6-8-21)11-13-19-3-4-22(13)15(17)18/h3-4,12,15H,5-11H2,1-2H3
InChIKeyHMOQOEPZUXLSNY-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.36
Rot. Bonds4

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone (PubChem CID 126803909) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone
PubChem CID126803909
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone
SMILESCC1(C)CC(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)C1
InChIInChI=1S/C16H24F2N4O/c1-16(2)9-12(10-16)14(23)21-7-5-20(6-8-21)11-13-19-3-4-22(13)15(17)18/h3-4,12,15H,5-11H2,1-2H3
InChIKeyHMOQOEPZUXLSNY-UHFFFAOYSA-N
XLogP2.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone with MolForge

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Related Compounds

2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-{[1-(methoxymethyl)cyclobutyl]carbonyl}piperidine
CID 70744783
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
N,N-dimethyl-2-{2-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-imidazol-1-yl}ethanamine
CID 72853722
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72857947
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498
1-(cyclopropylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72893576
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72898854
1-(cyclopentylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72913891
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72924602
1-[3-[3-[(2-Methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone
CID 110246353

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone (CID 126803909) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone is CC1(C)CC(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)C1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone?
The InChIKey is HMOQOEPZUXLSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-16(2)9-12(10-16)14(23)21-7-5-20(6-8-21)11-13-19-3-4-22(13)15(17)18/h3-4,12,15H,5-11H2,1-2H3.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone has a molecular weight of 326.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(3,3-dimethylcyclobutyl)methanone is sourced from PubChem (CID 126803909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).