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

C26H37N3O3 — CID 139749928

IUPACN-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C26H37N3O3/c1-3-4-10-26(30)27-21-22-11-13-23(14-12-22)32-20-7-15-28-16-18-29(19-17-28)24-8-5-6-9-25(24)31-2/h5-6,8-9,11-14H,3-4,7,10,15-21H2,1-2H3,(H,27,30)
InChIKeyDGUUPONXWHYOQV-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.09
Rot. Bonds12

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

N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide (PubChem CID 139749928) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
PubChem CID139749928
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC NameN-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C26H37N3O3/c1-3-4-10-26(30)27-21-22-11-13-23(14-12-22)32-20-7-15-28-16-18-29(19-17-28)24-8-5-6-9-25(24)31-2/h5-6,8-9,11-14H,3-4,7,10,15-21H2,1-2H3,(H,27,30)
InChIKeyDGUUPONXWHYOQV-UHFFFAOYSA-N
XLogP4.09
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-1,1-dimethylurea
CID 44538852
N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162676059
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
CID 134156520
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 72550200
1-[4-[4-[2-(1,3-dihydrotetrazol-2-yl)ethyl]phenoxy]butyl]-4-(2-methoxyphenyl)piperazine
CID 143901767
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide?
The IUPAC name of N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide (CID 139749928) is N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide.
What is the SMILES notation for N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide?
The canonical SMILES for N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide is CCCCC(=O)NCc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide?
The InChIKey is DGUUPONXWHYOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-3-4-10-26(30)27-21-22-11-13-23(14-12-22)32-20-7-15-28-16-18-29(19-17-28)24-8-5-6-9-25(24)31-2/h5-6,8-9,11-14H,3-4,7,10,15-21H2,1-2H3,(H,27,30).
What are the key properties of N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide?
N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide has a molecular weight of 439.60 g/mol, XLogP of 4.09, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide is sourced from PubChem (CID 139749928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).