2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide

C23H28N4O2 — CID 46462316

IUPAC2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide
SMILESCc1cccc(N2CCN(CCNC(=O)C(C)Oc3ccccc3C#N)CC2)c1
InChIInChI=1S/C23H28N4O2/c1-18-6-5-8-21(16-18)27-14-12-26(13-15-27)11-10-25-23(28)19(2)29-22-9-4-3-7-20(22)17-24/h3-9,16,19H,10-15H2,1-2H3,(H,25,28)
InChIKeyRKZBLWXQFHCRDV-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.57
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide

2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide (PubChem CID 46462316) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide
PubChem CID46462316
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide
SMILESCc1cccc(N2CCN(CCNC(=O)C(C)Oc3ccccc3C#N)CC2)c1
InChIInChI=1S/C23H28N4O2/c1-18-6-5-8-21(16-18)27-14-12-26(13-15-27)11-10-25-23(28)19(2)29-22-9-4-3-7-20(22)17-24/h3-9,16,19H,10-15H2,1-2H3,(H,25,28)
InChIKeyRKZBLWXQFHCRDV-UHFFFAOYSA-N
XLogP2.57
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 46431848
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 46410504
2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 30885469
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
(2R)-2-(2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 93488370
2-(3-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 21368370

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide (CID 46462316) is 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide is Cc1cccc(N2CCN(CCNC(=O)C(C)Oc3ccccc3C#N)CC2)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide?
The InChIKey is RKZBLWXQFHCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18-6-5-8-21(16-18)27-14-12-26(13-15-27)11-10-25-23(28)19(2)29-22-9-4-3-7-20(22)17-24/h3-9,16,19H,10-15H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide?
2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 46462316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).