2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide

C14H19Cl2N3O — CID 43443285

IUPAC2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N3O/c15-11-2-3-13(16)12(10-11)14(20)18-4-1-7-19-8-5-17-6-9-19/h2-3,10,17H,1,4-9H2,(H,18,20)
InChIKeyNIHVGAMIYUABMN-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.02
Rot. Bonds5

About 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide

2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 43443285) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID43443285
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N3O/c15-11-2-3-13(16)12(10-11)14(20)18-4-1-7-19-8-5-17-6-9-19/h2-3,10,17H,1,4-9H2,(H,18,20)
InChIKeyNIHVGAMIYUABMN-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392216
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391077
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide (CID 43443285) is 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide is O=C(NCCCN1CCNCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is NIHVGAMIYUABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c15-11-2-3-13(16)12(10-11)14(20)18-4-1-7-19-8-5-17-6-9-19/h2-3,10,17H,1,4-9H2,(H,18,20).
What are the key properties of 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide?
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 316.23 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 43443285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).