N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide

C29H35N3O3 — CID 67015267

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)Cc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C29H35N3O3/c1-34-28-15-8-6-13-26(28)32-20-18-31(19-21-32)17-9-16-30-29(33)22-25-12-5-7-14-27(25)35-23-24-10-3-2-4-11-24/h2-8,10-15H,9,16-23H2,1H3,(H,30,33)
InChIKeyTUCDBHDYVQWWGA-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.15
Rot. Bonds11

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide (PubChem CID 67015267) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
PubChem CID67015267
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)Cc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C29H35N3O3/c1-34-28-15-8-6-13-26(28)32-20-18-31(19-21-32)17-9-16-30-29(33)22-25-12-5-7-14-27(25)35-23-24-10-3-2-4-11-24/h2-8,10-15H,9,16-23H2,1H3,(H,30,33)
InChIKeyTUCDBHDYVQWWGA-UHFFFAOYSA-N
XLogP4.15
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.15
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

2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
(4-benzylphenyl) N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate;hydrochloride
CID 90467592
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
N-[3-[4-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]piperazin-1-yl]propyl]-1-methylpyrrole-2-carboxamide;dihydrochloride
CID 139793566
1-(2-bromophenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 23609325
[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
CID 139709112
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide (CID 67015267) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide is COc1ccccc1N1CCN(CCCNC(=O)Cc2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide?
The InChIKey is TUCDBHDYVQWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-34-28-15-8-6-13-26(28)32-20-18-31(19-21-32)17-9-16-30-29(33)22-25-12-5-7-14-27(25)35-23-24-10-3-2-4-11-24/h2-8,10-15H,9,16-23H2,1H3,(H,30,33).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide has a molecular weight of 473.62 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 67015267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).