4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide

C24H32FN5O3 — CID 176911901

IUPAC4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide
SMILESO=C1CCC(NC(=O)c2ccc(N3CCN(C4CC5(CCNCC5)C4)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C24H32FN5O3/c25-18-13-16(22(32)27-19-2-4-21(31)28-23(19)33)1-3-20(18)30-11-9-29(10-12-30)17-14-24(15-17)5-7-26-8-6-24/h1,3,13,17,19,26H,2,4-12,14-15H2,(H,27,32)(H,28,31,33)
InChIKeyRZOUVHBGJNUGAW-UHFFFAOYSA-N
MW457.55 g/mol
LogP1.01
Rot. Bonds4

About 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide

4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide (PubChem CID 176911901) has the molecular formula C24H32FN5O3 and a molecular weight of 457.55 g/mol. Its IUPAC name is 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide
PubChem CID176911901
Molecular FormulaC24H32FN5O3
Molecular Weight457.55 g/mol
Exact Mass457.25
IUPAC Name4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide
SMILESO=C1CCC(NC(=O)c2ccc(N3CCN(C4CC5(CCNCC5)C4)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C24H32FN5O3/c25-18-13-16(22(32)27-19-2-4-21(31)28-23(19)33)1-3-20(18)30-11-9-29(10-12-30)17-14-24(15-17)5-7-26-8-6-24/h1,3,13,17,19,26H,2,4-12,14-15H2,(H,27,32)(H,28,31,33)
InChIKeyRZOUVHBGJNUGAW-UHFFFAOYSA-N
XLogP1.01
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide?
The IUPAC name of 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide (CID 176911901) is 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide?
The canonical SMILES for 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide is O=C1CCC(NC(=O)c2ccc(N3CCN(C4CC5(CCNCC5)C4)CC3)c(F)c2)C(=O)N1.
What is the InChIKey of 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide?
The InChIKey is RZOUVHBGJNUGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O3/c25-18-13-16(22(32)27-19-2-4-21(31)28-23(19)33)1-3-20(18)30-11-9-29(10-12-30)17-14-24(15-17)5-7-26-8-6-24/h1,3,13,17,19,26H,2,4-12,14-15H2,(H,27,32)(H,28,31,33).
What are the key properties of 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide?
4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide has a molecular weight of 457.55 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-azaspiro[3.5]nonan-2-yl)piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-3-fluorobenzamide is sourced from PubChem (CID 176911901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).