2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide

C14H27FN6O — CID 163749377

IUPAC2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide
SMILESN/C(=N\CCF)N1CCN(CC(=O)NC2CCNCC2)CC1
InChIInChI=1S/C14H27FN6O/c15-3-6-18-14(16)21-9-7-20(8-10-21)11-13(22)19-12-1-4-17-5-2-12/h12,17H,1-11H2,(H2,16,18)(H,19,22)
InChIKeyAPJVMOTXVUAGLD-UHFFFAOYSA-N
MW314.41 g/mol
LogP-1.24
Rot. Bonds5

About 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide

2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide (PubChem CID 163749377) has the molecular formula C14H27FN6O and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide
PubChem CID163749377
Molecular FormulaC14H27FN6O
Molecular Weight314.41 g/mol
Exact Mass314.22
IUPAC Name2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide
SMILESN/C(=N\CCF)N1CCN(CC(=O)NC2CCNCC2)CC1
InChIInChI=1S/C14H27FN6O/c15-3-6-18-14(16)21-9-7-20(8-10-21)11-13(22)19-12-1-4-17-5-2-12/h12,17H,1-11H2,(H2,16,18)(H,19,22)
InChIKeyAPJVMOTXVUAGLD-UHFFFAOYSA-N
XLogP-1.24
TPSA85.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide (CID 163749377) is 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide is N/C(=N\CCF)N1CCN(CC(=O)NC2CCNCC2)CC1.
What is the InChIKey of 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide?
The InChIKey is APJVMOTXVUAGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN6O/c15-3-6-18-14(16)21-9-7-20(8-10-21)11-13(22)19-12-1-4-17-5-2-12/h12,17H,1-11H2,(H2,16,18)(H,19,22).
What are the key properties of 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide?
2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide has a molecular weight of 314.41 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[N'-(2-fluoroethyl)carbamimidoyl]piperazin-1-yl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 163749377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).