2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide

C23H28N4O2 — CID 46431848

IUPAC2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-19(29-22-11-6-5-8-20(22)18-24)23(28)25-12-7-13-26-14-16-27(17-15-26)21-9-3-2-4-10-21/h2-6,8-11,19H,7,12-17H2,1H3,(H,25,28)
InChIKeyQXGKVLJCJWZHGR-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.65
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide

2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 46431848) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID46431848
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-19(29-22-11-6-5-8-20(22)18-24)23(28)25-12-7-13-26-14-16-27(17-15-26)21-9-3-2-4-10-21/h2-6,8-11,19H,7,12-17H2,1H3,(H,25,28)
InChIKeyQXGKVLJCJWZHGR-UHFFFAOYSA-N
XLogP2.65
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.65
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-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 46431840
2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide
CID 46462316
2-(2-cyanophenoxy)-3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 55941076
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 46431848) is 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide is CC(Oc1ccccc1C#N)C(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is QXGKVLJCJWZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-19(29-22-11-6-5-8-20(22)18-24)23(28)25-12-7-13-26-14-16-27(17-15-26)21-9-3-2-4-10-21/h2-6,8-11,19H,7,12-17H2,1H3,(H,25,28).
What are the key properties of 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 46431848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).