N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride

C18H27Cl2FN4O2 — CID 119833345

IUPACN-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)CC2CCCN2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O2.2ClH/c19-14-3-5-15(6-4-14)21-17(24)13-22-8-10-23(11-9-22)18(25)12-16-2-1-7-20-16;;/h3-6,16,20H,1-2,7-13H2,(H,21,24);2*1H
InChIKeyWJRNUCQLPCLQPD-UHFFFAOYSA-N
MW421.34 g/mol
LogP1.89
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride

N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119833345) has the molecular formula C18H27Cl2FN4O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119833345
Molecular FormulaC18H27Cl2FN4O2
Molecular Weight421.34 g/mol
Exact Mass420.15
IUPAC NameN-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)CC2CCCN2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O2.2ClH/c19-14-3-5-15(6-4-14)21-17(24)13-22-8-10-23(11-9-22)18(25)12-16-2-1-7-20-16;;/h3-6,16,20H,1-2,7-13H2,(H,21,24);2*1H
InChIKeyWJRNUCQLPCLQPD-UHFFFAOYSA-N
XLogP1.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride 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-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119840808
N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119844022
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
2-[4-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 21174709
N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide
CID 119833319
N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119876672
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119678798
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 119833340
4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide
CID 119732715
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119833345) is N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCN(C(=O)CC2CCCN2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is WJRNUCQLPCLQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2.2ClH/c19-14-3-5-15(6-4-14)21-17(24)13-22-8-10-23(11-9-22)18(25)12-16-2-1-7-20-16;;/h3-6,16,20H,1-2,7-13H2,(H,21,24);2*1H.
What are the key properties of N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 421.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119833345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).