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

C17H23Cl2N3O2 — CID 35357599

IUPACN-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H23Cl2N3O2/c1-2-3-6-20-16(23)12-21-7-9-22(10-8-21)17(24)13-4-5-14(18)15(19)11-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,20,23)
InChIKeyFMPAATKIGROMRP-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.67
Rot. Bonds6

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

N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 35357599) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
PubChem CID35357599
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H23Cl2N3O2/c1-2-3-6-20-16(23)12-21-7-9-22(10-8-21)17(24)13-4-5-14(18)15(19)11-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,20,23)
InChIKeyFMPAATKIGROMRP-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'}

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Related Compounds

N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
CID 46581225
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 35359411
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404012
N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 18163281
N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55828275
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide (CID 35357599) is N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is FMPAATKIGROMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-2-3-6-20-16(23)12-21-7-9-22(10-8-21)17(24)13-4-5-14(18)15(19)11-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,20,23).
What are the key properties of N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(3,4-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-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35357599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).