N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide

C17H23Cl2N3O2 — CID 18163223

IUPACN-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O2/c1-2-3-7-20-15(23)12-21-8-10-22(11-9-21)17(24)13-5-4-6-14(18)16(13)19/h4-6H,2-3,7-12H2,1H3,(H,20,23)
InChIKeyKTZDPWKGNUEYRE-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.67
Rot. Bonds6

About N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide

N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 18163223) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
PubChem CID18163223
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O2/c1-2-3-7-20-15(23)12-21-8-10-22(11-9-21)17(24)13-5-4-6-14(18)16(13)19/h4-6H,2-3,7-12H2,1H3,(H,20,23)
InChIKeyKTZDPWKGNUEYRE-UHFFFAOYSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-[4-(2,3-dichlorobenzoyl)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-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 35359411
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 18163237
2-[4-(2,3-dichlorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825146
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18163262
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide (CID 18163223) is N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is KTZDPWKGNUEYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-2-3-7-20-15(23)12-21-8-10-22(11-9-21)17(24)13-5-4-6-14(18)16(13)19/h4-6H,2-3,7-12H2,1H3,(H,20,23).
What are the key properties of N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 372.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18163223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).