3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide

C24H32FN3O3 — CID 42224898

IUPAC3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1OCC
InChIInChI=1S/C24H32FN3O3/c1-3-30-22-11-6-19(18-23(22)31-4-2)24(29)26-12-5-13-27-14-16-28(17-15-27)21-9-7-20(25)8-10-21/h6-11,18H,3-5,12-17H2,1-2H3,(H,26,29)
InChIKeyWNRAYSMTCUBTJD-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.57
Rot. Bonds10

About 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide

3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 42224898) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
PubChem CID42224898
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1OCC
InChIInChI=1S/C24H32FN3O3/c1-3-30-22-11-6-19(18-23(22)31-4-2)24(29)26-12-5-13-27-14-16-28(17-15-27)21-9-7-20(25)8-10-21/h6-11,18H,3-5,12-17H2,1-2H3,(H,26,29)
InChIKeyWNRAYSMTCUBTJD-UHFFFAOYSA-N
XLogP3.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.57
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

4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide
CID 42224836
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876365
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46410731
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide (CID 42224898) is 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide is CCOc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is WNRAYSMTCUBTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-3-30-22-11-6-19(18-23(22)31-4-2)24(29)26-12-5-13-27-14-16-28(17-15-27)21-9-7-20(25)8-10-21/h6-11,18H,3-5,12-17H2,1-2H3,(H,26,29).
What are the key properties of 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide?
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 42224898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).