5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile

C25H23N3O4 — CID 139377212

IUPAC5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile
SMILESN#Cc1coc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4)cc3)cc12
InChIInChI=1S/C25H23N3O4/c26-15-20-16-32-22-7-6-19(14-21(20)22)17-2-4-18(5-3-17)23(29)27-10-12-28(13-11-27)24(30)25(31)8-1-9-25/h2-7,14,16,31H,1,8-13H2
InChIKeySDSFQZHSMAVKDR-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.17
Rot. Bonds3

About 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile

5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile (PubChem CID 139377212) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile
PubChem CID139377212
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile
SMILESN#Cc1coc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4)cc3)cc12
InChIInChI=1S/C25H23N3O4/c26-15-20-16-32-22-7-6-19(14-21(20)22)17-2-4-18(5-3-17)23(29)27-10-12-28(13-11-27)24(30)25(31)8-1-9-25/h2-7,14,16,31H,1,8-13H2
InChIKeySDSFQZHSMAVKDR-UHFFFAOYSA-N
XLogP3.17
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone
CID 139377111
[4-(2,3-dihydro-1,3-benzothiazol-6-yl)phenyl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
CID 118639648
2-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-1,3-benzoxazole-5-carbonitrile
CID 118621853
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
(4-furo[3,2-c]pyridin-4-ylphenyl)-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621474
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
[4-(4-chloro-2-fluorophenyl)phenyl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
CID 118621704
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
N-hydroxy-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 139377302

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile?
The IUPAC name of 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile (CID 139377212) is 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile?
The canonical SMILES for 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile is N#Cc1coc2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CCC5)CC4)cc3)cc12.
What is the InChIKey of 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile?
The InChIKey is SDSFQZHSMAVKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c26-15-20-16-32-22-7-6-19(14-21(20)22)17-2-4-18(5-3-17)23(29)27-10-12-28(13-11-27)24(30)25(31)8-1-9-25/h2-7,14,16,31H,1,8-13H2.
What are the key properties of 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile?
5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile has a molecular weight of 429.48 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 139377212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).