[6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C23H28F2N2O3 — CID 68795223

IUPAC[6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cc2ccc(OC3CCN(C4CCC4)CC3)cc2o1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H28F2N2O3/c24-23(25)8-12-27(13-9-23)22(28)21-14-16-4-5-19(15-20(16)30-21)29-18-6-10-26(11-7-18)17-2-1-3-17/h4-5,14-15,17-18H,1-3,6-13H2
InChIKeyJRTPXELSMHHZJX-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.70
Rot. Bonds4

About [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 68795223) has the molecular formula C23H28F2N2O3 and a molecular weight of 418.48 g/mol. Its IUPAC name is [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID68795223
Molecular FormulaC23H28F2N2O3
Molecular Weight418.48 g/mol
Exact Mass418.21
IUPAC Name[6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cc2ccc(OC3CCN(C4CCC4)CC3)cc2o1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H28F2N2O3/c24-23(25)8-12-27(13-9-23)22(28)21-14-16-4-5-19(15-20(16)30-21)29-18-6-10-26(11-7-18)17-2-1-3-17/h4-5,14-15,17-18H,1-3,6-13H2
InChIKeyJRTPXELSMHHZJX-UHFFFAOYSA-N
XLogP4.70
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone with MolForge

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Related Compounds

[5-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 68878236
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69067801
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide
CID 69215154
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
CID 68578403
7-cyclobutyloxy-2-oxochromene-3-carboxylic acid
CID 166609266
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 11441745

Frequently Asked Questions

What is the IUPAC name of [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 68795223) is [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1cc2ccc(OC3CCN(C4CCC4)CC3)cc2o1)N1CCC(F)(F)CC1.
What is the InChIKey of [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is JRTPXELSMHHZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O3/c24-23(25)8-12-27(13-9-23)22(28)21-14-16-4-5-19(15-20(16)30-21)29-18-6-10-26(11-7-18)17-2-1-3-17/h4-5,14-15,17-18H,1-3,6-13H2.
What are the key properties of [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 418.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-cyclobutylpiperidin-4-yl)oxy-1-benzofuran-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 68795223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).