5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

C21H26ClN3O2 — CID 42224442

IUPAC5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-9-8-17(22)16-19(20)21(26)23-10-5-11-24-12-14-25(15-13-24)18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26)
InChIKeyKPMQPEXTMLIKTO-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.29
Rot. Bonds7

About 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 42224442) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID42224442
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-9-8-17(22)16-19(20)21(26)23-10-5-11-24-12-14-25(15-13-24)18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26)
InChIKeyKPMQPEXTMLIKTO-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.29
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

5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42224226
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3236581
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 42224442) is 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is KPMQPEXTMLIKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-20-9-8-17(22)16-19(20)21(26)23-10-5-11-24-12-14-25(15-13-24)18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26).
What are the key properties of 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 387.91 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 42224442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).