N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide

C27H39N3O2 — CID 162676059

IUPACN-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C27H39N3O2/c1-27(2,3)23-14-12-22(13-15-23)21-28-26(31)11-7-8-16-29-17-19-30(20-18-29)24-9-5-6-10-25(24)32-4/h5-6,9-10,12-15H,7-8,11,16-21H2,1-4H3,(H,28,31)
InChIKeyWVHPJHXNILKIAB-UHFFFAOYSA-N
MW437.63 g/mol
LogP4.60
Rot. Bonds9

About N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide

N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide (PubChem CID 162676059) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
PubChem CID162676059
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC NameN-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NCc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C27H39N3O2/c1-27(2,3)23-14-12-22(13-15-23)21-28-26(31)11-7-8-16-29-17-19-30(20-18-29)24-9-5-6-10-25(24)32-4/h5-6,9-10,12-15H,7-8,11,16-21H2,1-4H3,(H,28,31)
InChIKeyWVHPJHXNILKIAB-UHFFFAOYSA-N
XLogP4.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 54.60
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-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
CID 139749928
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
3-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-1,1-dimethylurea
CID 44538852
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-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
CID 134156520
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
tert-butyl 4-(2-methoxycarbonylphenyl)piperazine-1-carboxylate;4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 174799520

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide (CID 162676059) is N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide is COc1ccccc1N1CCN(CCCCC(=O)NCc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The InChIKey is WVHPJHXNILKIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-27(2,3)23-14-12-22(13-15-23)21-28-26(31)11-7-8-16-29-17-19-30(20-18-29)24-9-5-6-10-25(24)32-4/h5-6,9-10,12-15H,7-8,11,16-21H2,1-4H3,(H,28,31).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide has a molecular weight of 437.63 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide is sourced from PubChem (CID 162676059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).