N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide

C29H34FN3O2 — CID 72550200

IUPACN-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(F)c2)CC1
InChIInChI=1S/C29H34FN3O2/c1-35-28-14-5-4-13-27(28)33-19-17-32(18-20-33)16-7-6-15-29(34)31-22-24-9-2-3-12-26(24)23-10-8-11-25(30)21-23/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,34)
InChIKeyUADSLLYNOCSLDP-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.11
Rot. Bonds10

About N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide

N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide (PubChem CID 72550200) has the molecular formula C29H34FN3O2 and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
PubChem CID72550200
Molecular FormulaC29H34FN3O2
Molecular Weight475.61 g/mol
Exact Mass475.26
IUPAC NameN-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(F)c2)CC1
InChIInChI=1S/C29H34FN3O2/c1-35-28-14-5-4-13-27(28)33-19-17-32(18-20-33)16-7-6-15-29(34)31-22-24-9-2-3-12-26(24)23-10-8-11-25(30)21-23/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,34)
InChIKeyUADSLLYNOCSLDP-UHFFFAOYSA-N
XLogP5.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.11
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

N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162676059
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
CID 139749928
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-oxo-2-phenylchromen-8-yl)acetamide
CID 19972536
4-(2,4-difluorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 56517196
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267
6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10644504
2-(3-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26534618
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The IUPAC name of N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide (CID 72550200) is N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide.
What is the SMILES notation for N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The canonical SMILES for N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide is COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(F)c2)CC1.
What is the InChIKey of N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The InChIKey is UADSLLYNOCSLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O2/c1-35-28-14-5-4-13-27(28)33-19-17-32(18-20-33)16-7-6-15-29(34)31-22-24-9-2-3-12-26(24)23-10-8-11-25(30)21-23/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,34).
What are the key properties of N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide has a molecular weight of 475.61 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide is sourced from PubChem (CID 72550200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).