2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C21H24FN5O — CID 134031963

IUPAC2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C21H24FN5O/c1-2-26(15-17-5-3-7-19(22)13-17)20(28)16-25-9-11-27(12-10-25)21-18(14-23)6-4-8-24-21/h3-8,13H,2,9-12,15-16H2,1H3
InChIKeyHXJKSNHZDBLRGQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.26
Rot. Bonds6

About 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 134031963) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID134031963
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C21H24FN5O/c1-2-26(15-17-5-3-7-19(22)13-17)20(28)16-25-9-11-27(12-10-25)21-18(14-23)6-4-8-24-21/h3-8,13H,2,9-12,15-16H2,1H3
InChIKeyHXJKSNHZDBLRGQ-UHFFFAOYSA-N
XLogP2.26
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 134031871
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 55680100
2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60585129
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91841684
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 134031812
N-tert-butyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 60508995
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871375
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 68872911
N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 68872698
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 134031972

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 134031963) is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is HXJKSNHZDBLRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-2-26(15-17-5-3-7-19(22)13-17)20(28)16-25-9-11-27(12-10-25)21-18(14-23)6-4-8-24-21/h3-8,13H,2,9-12,15-16H2,1H3.
What are the key properties of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 134031963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).