[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone

C24H25N3O3 — CID 86272688

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone
SMILESCn1ccc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3)ccc21
InChIInChI=1S/C24H25N3O3/c1-25-11-8-20-16-19(6-7-21(20)25)17-2-4-18(5-3-17)22(28)26-12-14-27(15-13-26)23(29)24(30)9-10-24/h2-8,11,16,30H,9-10,12-15H2,1H3
InChIKeyGRRIKAANZUFJSO-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.65
Rot. Bonds3

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone (PubChem CID 86272688) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone
PubChem CID86272688
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone
SMILESCn1ccc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3)ccc21
InChIInChI=1S/C24H25N3O3/c1-25-11-8-20-16-19(6-7-21(20)25)17-2-4-18(5-3-17)22(28)26-12-14-27(15-13-26)23(29)24(30)9-10-24/h2-8,11,16,30H,9-10,12-15H2,1H3
InChIKeyGRRIKAANZUFJSO-UHFFFAOYSA-N
XLogP2.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone (CID 86272688) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone is Cn1ccc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3)ccc21.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone?
The InChIKey is GRRIKAANZUFJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-25-11-8-20-16-19(6-7-21(20)25)17-2-4-18(5-3-17)22(28)26-12-14-27(15-13-26)23(29)24(30)9-10-24/h2-8,11,16,30H,9-10,12-15H2,1H3.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone has a molecular weight of 403.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-5-yl)phenyl]methanone is sourced from PubChem (CID 86272688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).