[4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone

C13H16N4O2 — CID 112723540

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccco2)CC1)n1ccnc1
InChIInChI=1S/C13H16N4O2/c18-13(17-4-3-14-11-17)16-7-5-15(6-8-16)10-12-2-1-9-19-12/h1-4,9,11H,5-8,10H2
InChIKeyTWPQWADSLOXJEU-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.26
Rot. Bonds2

About [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone

[4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone (PubChem CID 112723540) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone
PubChem CID112723540
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccco2)CC1)n1ccnc1
InChIInChI=1S/C13H16N4O2/c18-13(17-4-3-14-11-17)16-7-5-15(6-8-16)10-12-2-1-9-19-12/h1-4,9,11H,5-8,10H2
InChIKeyTWPQWADSLOXJEU-UHFFFAOYSA-N
XLogP1.26
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
1-(furan-2-ylmethyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874103
(E)-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 54874934
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638
2-(3-amino-1,2,4-triazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 61113519
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone (CID 112723540) is [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone is O=C(N1CCN(Cc2ccco2)CC1)n1ccnc1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is TWPQWADSLOXJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(17-4-3-14-11-17)16-7-5-15(6-8-16)10-12-2-1-9-19-12/h1-4,9,11H,5-8,10H2.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 260.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 112723540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).