2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide

C26H30FN3O2 — CID 42224836

IUPAC2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H30FN3O2/c1-2-32-24-13-8-20-6-3-4-7-23(20)25(24)26(31)28-14-5-15-29-16-18-30(19-17-29)22-11-9-21(27)10-12-22/h3-4,6-13H,2,5,14-19H2,1H3,(H,28,31)
InChIKeyHGRUFWVYQUKEOF-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.32
Rot. Bonds8

About 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide

2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide (PubChem CID 42224836) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide
PubChem CID42224836
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H30FN3O2/c1-2-32-24-13-8-20-6-3-4-7-23(20)25(24)26(31)28-14-5-15-29-16-18-30(19-17-29)22-11-9-21(27)10-12-22/h3-4,6-13H,2,5,14-19H2,1H3,(H,28,31)
InChIKeyHGRUFWVYQUKEOF-UHFFFAOYSA-N
XLogP4.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.32
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

3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
CID 91812891
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide (CID 42224836) is 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide?
The InChIKey is HGRUFWVYQUKEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-2-32-24-13-8-20-6-3-4-7-23(20)25(24)26(31)28-14-5-15-29-16-18-30(19-17-29)22-11-9-21(27)10-12-22/h3-4,6-13H,2,5,14-19H2,1H3,(H,28,31).
What are the key properties of 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide?
2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42224836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).