1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide

C11H16F2N4O — CID 167843932

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C11H16F2N4O/c12-11(13)17-6-3-15-9(17)7-16-4-1-8(2-5-16)10(14)18/h3,6,8,11H,1-2,4-5,7H2,(H2,14,18)
InChIKeyQIWVGHBBKZTDTQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.98
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 167843932) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID167843932
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C11H16F2N4O/c12-11(13)17-6-3-15-9(17)7-16-4-1-8(2-5-16)10(14)18/h3,6,8,11H,1-2,4-5,7H2,(H2,14,18)
InChIKeyQIWVGHBBKZTDTQ-UHFFFAOYSA-N
XLogP0.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
CID 119922574
2-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119867986
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63848611
3-cyclopropyl-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 126800766
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 166191537
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 111109189
3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
CID 111544146
1-(oxan-4-yl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245462
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704064
(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868002
ethyl (2S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate
CID 124545322
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263806

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide (CID 167843932) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is QIWVGHBBKZTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c12-11(13)17-6-3-15-9(17)7-16-4-1-8(2-5-16)10(14)18/h3,6,8,11H,1-2,4-5,7H2,(H2,14,18).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 258.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 167843932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).