3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

C26H37N3O4 — CID 42224516

IUPAC3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCCOc1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C26H37N3O4/c1-4-31-23-19-21(20-24(32-5-2)25(23)33-6-3)26(30)27-13-10-14-28-15-17-29(18-16-28)22-11-8-7-9-12-22/h7-9,11-12,19-20H,4-6,10,13-18H2,1-3H3,(H,27,30)
InChIKeyNTZPFIMPKWWMCR-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.82
Rot. Bonds12

About 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 42224516) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID42224516
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCCOc1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C26H37N3O4/c1-4-31-23-19-21(20-24(32-5-2)25(23)33-6-3)26(30)27-13-10-14-28-15-17-29(18-16-28)22-11-8-7-9-12-22/h7-9,11-12,19-20H,4-6,10,13-18H2,1-3H3,(H,27,30)
InChIKeyNTZPFIMPKWWMCR-UHFFFAOYSA-N
XLogP3.82
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33133847
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
4-ethoxy-5-methoxy-2-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638800
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide
CID 42224836

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 42224516) is 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is CCOc1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is NTZPFIMPKWWMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-4-31-23-19-21(20-24(32-5-2)25(23)33-6-3)26(30)27-13-10-14-28-15-17-29(18-16-28)22-11-8-7-9-12-22/h7-9,11-12,19-20H,4-6,10,13-18H2,1-3H3,(H,27,30).
What are the key properties of 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 3.82, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 42224516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).