N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide

C14H19FN4O2 — CID 70289149

IUPACN-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C14H19FN4O2/c1-11(20)16-5-6-18-7-9-19(10-8-18)14(21)12-3-2-4-13(15)17-12/h2-4H,5-10H2,1H3,(H,16,20)
InChIKeySCMVCFVEBWHQAL-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.11
Rot. Bonds4

About N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70289149) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70289149
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C14H19FN4O2/c1-11(20)16-5-6-18-7-9-19(10-8-18)14(21)12-3-2-4-13(15)17-12/h2-4H,5-10H2,1H3,(H,16,20)
InChIKeySCMVCFVEBWHQAL-UHFFFAOYSA-N
XLogP0.11
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide (CID 70289149) is N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(C(=O)c2cccc(F)n2)CC1.
What is the InChIKey of N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is SCMVCFVEBWHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-11(20)16-5-6-18-7-9-19(10-8-18)14(21)12-3-2-4-13(15)17-12/h2-4H,5-10H2,1H3,(H,16,20).
What are the key properties of N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 294.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70289149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).