4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide

C14H14F5N3O2 — CID 173173614

IUPAC4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide
SMILESO=CCCN1CCN(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C14H14F5N3O2/c15-8-9(16)11(18)13(12(19)10(8)17)20-14(24)22-5-3-21(4-6-22)2-1-7-23/h7H,1-6H2,(H,20,24)
InChIKeySJFKZHQLGATMKP-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.12
Rot. Bonds4

About 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide

4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide (PubChem CID 173173614) has the molecular formula C14H14F5N3O2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide
PubChem CID173173614
Molecular FormulaC14H14F5N3O2
Molecular Weight351.28 g/mol
Exact Mass351.10
IUPAC Name4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide
SMILESO=CCCN1CCN(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C14H14F5N3O2/c15-8-9(16)11(18)13(12(19)10(8)17)20-14(24)22-5-3-21(4-6-22)2-1-7-23/h7H,1-6H2,(H,20,24)
InChIKeySJFKZHQLGATMKP-UHFFFAOYSA-N
XLogP2.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide (CID 173173614) is 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide is O=CCCN1CCN(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide?
The InChIKey is SJFKZHQLGATMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F5N3O2/c15-8-9(16)11(18)13(12(19)10(8)17)20-14(24)22-5-3-21(4-6-22)2-1-7-23/h7H,1-6H2,(H,20,24).
What are the key properties of 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide?
4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide has a molecular weight of 351.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopropyl)-N-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 173173614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).