2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide

C20H24ClN3O2 — CID 24773437

IUPAC2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O2/c21-16-5-3-6-17(15-16)24-12-10-23(11-13-24)9-4-14-26-19-8-2-1-7-18(19)20(22)25/h1-3,5-8,15H,4,9-14H2,(H2,22,25)
InChIKeyOVMSNGAWGNNAOP-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.03
Rot. Bonds7

About 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide (PubChem CID 24773437) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide.

Molecular Properties

Compound Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide
PubChem CID24773437
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O2/c21-16-5-3-6-17(15-16)24-12-10-23(11-13-24)9-4-14-26-19-8-2-1-7-18(19)20(22)25/h1-3,5-8,15H,4,9-14H2,(H2,22,25)
InChIKeyOVMSNGAWGNNAOP-UHFFFAOYSA-N
XLogP3.03
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945
1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
CID 20532665
6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45260924
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943477
3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate
CID 10621874
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
CID 13038826
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
4-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanethioamide
CID 65247125
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine
CID 111108252
2-[3-(4-ethylpiperazin-1-yl)propoxy]benzenecarbothioamide
CID 43290468
1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine
CID 142954737
5-[2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-oxazol-2-one
CID 57192431

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide?
The IUPAC name of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide (CID 24773437) is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide.
What is the SMILES notation for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide?
The canonical SMILES for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide is NC(=O)c1ccccc1OCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide?
The InChIKey is OVMSNGAWGNNAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-16-5-3-6-17(15-16)24-12-10-23(11-13-24)9-4-14-26-19-8-2-1-7-18(19)20(22)25/h1-3,5-8,15H,4,9-14H2,(H2,22,25).
What are the key properties of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide?
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide is sourced from PubChem (CID 24773437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).