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

C23H31N3O3 — CID 162643558

IUPACN-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2O)CC1
InChIInChI=1S/C23H31N3O3/c1-29-22-11-5-3-9-20(22)26-16-14-25(15-17-26)13-7-6-12-23(28)24-18-19-8-2-4-10-21(19)27/h2-5,8-11,27H,6-7,12-18H2,1H3,(H,24,28)
InChIKeySIMPJPZBWNLYCQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.01
Rot. Bonds9

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

N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide (PubChem CID 162643558) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
PubChem CID162643558
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2O)CC1
InChIInChI=1S/C23H31N3O3/c1-29-22-11-5-3-9-20(22)26-16-14-25(15-17-26)13-7-6-12-23(28)24-18-19-8-2-4-10-21(19)27/h2-5,8-11,27H,6-7,12-18H2,1H3,(H,24,28)
InChIKeySIMPJPZBWNLYCQ-UHFFFAOYSA-N
XLogP3.01
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-[[2-(3-fluorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 72550200
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-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267
1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 174547931
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide (CID 162643558) is N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide is COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2O)CC1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
The InChIKey is SIMPJPZBWNLYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-29-22-11-5-3-9-20(22)26-16-14-25(15-17-26)13-7-6-12-23(28)24-18-19-8-2-4-10-21(19)27/h2-5,8-11,27H,6-7,12-18H2,1H3,(H,24,28).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide?
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide has a molecular weight of 397.52 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide is sourced from PubChem (CID 162643558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).