5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile

C24H22N4O4 — CID 160703524

IUPAC5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile
SMILESN#CC1C=c2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)COC5)CC4)cc3)ccc2=N1
InChIInChI=1S/C24H22N4O4/c25-13-20-12-19-11-18(5-6-21(19)26-20)16-1-3-17(4-2-16)22(29)27-7-9-28(10-8-27)23(30)24(31)14-32-15-24/h1-6,11-12,20,31H,7-10,14-15H2
InChIKeyRQXRDPFXPUEWRX-UHFFFAOYSA-N
MW430.46 g/mol
LogP-0.29
Rot. Bonds3

About 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile

5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile (PubChem CID 160703524) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile
PubChem CID160703524
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile
SMILESN#CC1C=c2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)COC5)CC4)cc3)ccc2=N1
InChIInChI=1S/C24H22N4O4/c25-13-20-12-19-11-18(5-6-21(19)26-20)16-1-3-17(4-2-16)22(29)27-7-9-28(10-8-27)23(30)24(31)14-32-15-24/h1-6,11-12,20,31H,7-10,14-15H2
InChIKeyRQXRDPFXPUEWRX-UHFFFAOYSA-N
XLogP-0.29
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
CID 118633886
[4-[3-amino-4-(methylaminomethyl)phenyl]phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
CID 118639792
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
5-[4-[4-(1-hydroxycyclobutanecarbonyl)piperazine-1-carbonyl]phenyl]-1-benzofuran-3-carbonitrile
CID 139377212
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
CID 118621625
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone
CID 139377111
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
2-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-1,3-benzoxazole-5-carbonitrile
CID 118621853
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
CID 118633907

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile?
The IUPAC name of 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile (CID 160703524) is 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile.
What is the SMILES notation for 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile?
The canonical SMILES for 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile is N#CC1C=c2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)COC5)CC4)cc3)ccc2=N1.
What is the InChIKey of 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile?
The InChIKey is RQXRDPFXPUEWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c25-13-20-12-19-11-18(5-6-21(19)26-20)16-1-3-17(4-2-16)22(29)27-7-9-28(10-8-27)23(30)24(31)14-32-15-24/h1-6,11-12,20,31H,7-10,14-15H2.
What are the key properties of 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile?
5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile has a molecular weight of 430.46 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(3-hydroxyoxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]-2H-indole-2-carbonitrile is sourced from PubChem (CID 160703524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).