3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C25H35N3O4 — CID 42266222

IUPAC3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C25H35N3O4/c1-4-30-22-18-20(19-23(31-5-2)24(22)32-6-3)25(29)26-12-13-27-14-16-28(17-15-27)21-10-8-7-9-11-21/h7-11,18-19H,4-6,12-17H2,1-3H3,(H,26,29)
InChIKeyYUVVFGRTDMOKGQ-UHFFFAOYSA-N
MW441.57 g/mol
LogP3.43
Rot. Bonds11

About 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 42266222) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID42266222
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C25H35N3O4/c1-4-30-22-18-20(19-23(31-5-2)24(22)32-6-3)25(29)26-12-13-27-14-16-28(17-15-27)21-10-8-7-9-11-21/h7-11,18-19H,4-6,12-17H2,1-3H3,(H,26,29)
InChIKeyYUVVFGRTDMOKGQ-UHFFFAOYSA-N
XLogP3.43
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33133847
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 30885156
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 47086005
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 46412846
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 42266222) is 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is CCOc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is YUVVFGRTDMOKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-4-30-22-18-20(19-23(31-5-2)24(22)32-6-3)25(29)26-12-13-27-14-16-28(17-15-27)21-10-8-7-9-11-21/h7-11,18-19H,4-6,12-17H2,1-3H3,(H,26,29).
What are the key properties of 3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 441.57 g/mol, XLogP of 3.43, 11 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-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 42266222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).