4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide

C11H22FN3O2 — CID 121021932

IUPAC4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C11H22FN3O2/c1-17-10-2-4-13-11(16)15-8-6-14(5-3-12)7-9-15/h2-10H2,1H3,(H,13,16)
InChIKeyIIPFEHFDWUNUHZ-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.32
Rot. Bonds6

About 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide

4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 121021932) has the molecular formula C11H22FN3O2 and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID121021932
Molecular FormulaC11H22FN3O2
Molecular Weight247.31 g/mol
Exact Mass247.17
IUPAC Name4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C11H22FN3O2/c1-17-10-2-4-13-11(16)15-8-6-14(5-3-12)7-9-15/h2-10H2,1H3,(H,13,16)
InChIKeyIIPFEHFDWUNUHZ-UHFFFAOYSA-N
XLogP0.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide (CID 121021932) is 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide is COCCCNC(=O)N1CCN(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is IIPFEHFDWUNUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3O2/c1-17-10-2-4-13-11(16)15-8-6-14(5-3-12)7-9-15/h2-10H2,1H3,(H,13,16).
What are the key properties of 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 247.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 121021932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).