N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide

C20H24FN3O2S — CID 9020329

IUPACN-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCCc2cccs2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2S/c21-16-4-1-5-17(14-16)22-19(25)15-23-9-11-24(12-10-23)20(26)8-2-6-18-7-3-13-27-18/h1,3-5,7,13-14H,2,6,8-12,15H2,(H,22,25)
InChIKeyXCXODKMQNCWYTJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.99
Rot. Bonds7

About N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide (PubChem CID 9020329) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
PubChem CID9020329
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCCc2cccs2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2S/c21-16-4-1-5-17(14-16)22-19(25)15-23-9-11-24(12-10-23)20(26)8-2-6-18-7-3-13-27-18/h1,3-5,7,13-14H,2,6,8-12,15H2,(H,22,25)
InChIKeyXCXODKMQNCWYTJ-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]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-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide
CID 9020375
N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
CID 9020203
N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55967041
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
N-[3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966434
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110604610
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide (CID 9020329) is N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CCCc2cccs2)CC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide?
The InChIKey is XCXODKMQNCWYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-16-4-1-5-17(14-16)22-19(25)15-23-9-11-24(12-10-23)20(26)8-2-6-18-7-3-13-27-18/h1,3-5,7,13-14H,2,6,8-12,15H2,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9020329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).