2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

C22H29N3O2 — CID 42224572

IUPAC2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-19-8-10-21(11-9-19)27-18-22(26)23-12-5-13-24-14-16-25(17-15-24)20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChIKeyGPBQLBOVNOVTLK-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.70
Rot. Bonds8

About 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 42224572) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID42224572
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-19-8-10-21(11-9-19)27-18-22(26)23-12-5-13-24-14-16-25(17-15-24)20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChIKeyGPBQLBOVNOVTLK-UHFFFAOYSA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.70
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

2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 31568257
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46601953
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 34250927
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 42224572) is 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is Cc1ccc(OCC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is GPBQLBOVNOVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-19-8-10-21(11-9-19)27-18-22(26)23-12-5-13-24-14-16-25(17-15-24)20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3,(H,23,26).
What are the key properties of 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 42224572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).