3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

C22H29N3O3 — CID 42224538

IUPAC3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-10-9-18(17-21(20)28-2)22(26)23-11-6-12-24-13-15-25(16-14-24)19-7-4-3-5-8-19/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyRGEBXPXFWPTQCJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.65
Rot. Bonds8

About 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 42224538) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID42224538
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-10-9-18(17-21(20)28-2)22(26)23-11-6-12-24-13-15-25(16-14-24)19-7-4-3-5-8-19/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyRGEBXPXFWPTQCJ-UHFFFAOYSA-N
XLogP2.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638847
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33133847
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
3,4-dimethoxy-N-[3-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]benzamide
CID 141218435
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55633946
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 42224538) is 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is COc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is RGEBXPXFWPTQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-10-9-18(17-21(20)28-2)22(26)23-11-6-12-24-13-15-25(16-14-24)19-7-4-3-5-8-19/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26).
What are the key properties of 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 42224538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).