[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone

C14H21F2N5O2 — CID 119867985

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C14H21F2N5O2/c15-14(16)21-3-1-18-12(21)9-19-4-6-20(7-5-19)13(22)11-10-23-8-2-17-11/h1,3,11,14,17H,2,4-10H2
InChIKeyHDGKCCVEGGERTL-UHFFFAOYSA-N
MW329.35 g/mol
LogP-0.09
Rot. Bonds4

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone (PubChem CID 119867985) has the molecular formula C14H21F2N5O2 and a molecular weight of 329.35 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
PubChem CID119867985
Molecular FormulaC14H21F2N5O2
Molecular Weight329.35 g/mol
Exact Mass329.17
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C14H21F2N5O2/c15-14(16)21-3-1-18-12(21)9-19-4-6-20(7-5-19)13(22)11-10-23-8-2-17-11/h1,3,11,14,17H,2,4-10H2
InChIKeyHDGKCCVEGGERTL-UHFFFAOYSA-N
XLogP-0.09
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone (CID 119867985) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone is O=C(C1COCCN1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The InChIKey is HDGKCCVEGGERTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O2/c15-14(16)21-3-1-18-12(21)9-19-4-6-20(7-5-19)13(22)11-10-23-8-2-17-11/h1,3,11,14,17H,2,4-10H2.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 329.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 119867985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).