1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C18H22N2O3 — CID 171680757

IUPAC1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1coc2ccccc12)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H22N2O3/c21-18(16-13-23-17-6-2-1-5-15(16)17)20-9-7-19(8-10-20)12-14-4-3-11-22-14/h1-2,5-6,13-14H,3-4,7-12H2
InChIKeyKIZOTLQNYVHJLM-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.37
Rot. Bonds3

About 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 171680757) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID171680757
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1coc2ccccc12)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H22N2O3/c21-18(16-13-23-17-6-2-1-5-15(16)17)20-9-7-19(8-10-20)12-14-4-3-11-22-14/h1-2,5-6,13-14H,3-4,7-12H2
InChIKeyKIZOTLQNYVHJLM-UHFFFAOYSA-N
XLogP2.37
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile
CID 51198255
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
(2-bromophenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054063
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
(5-ethyl-1-phenylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55583502
(5-chlorofuran-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 103601974
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
(6-chloro-2-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62232904
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 55338053

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 171680757) is 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1coc2ccccc12)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KIZOTLQNYVHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-18(16-13-23-17-6-2-1-5-15(16)17)20-9-7-19(8-10-20)12-14-4-3-11-22-14/h1-2,5-6,13-14H,3-4,7-12H2.
What are the key properties of 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 314.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 171680757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).