2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile

C23H27N3O2 — CID 110350372

IUPAC2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
SMILESCCc1ccc(C(C#N)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-18-4-8-20(9-5-18)22(17-24)25-12-14-26(15-13-25)23(27)16-19-6-10-21(28-2)11-7-19/h4-11,22H,3,12-16H2,1-2H3
InChIKeyBTWAOYNSBRNTRR-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile

2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile (PubChem CID 110350372) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
PubChem CID110350372
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
SMILESCCc1ccc(C(C#N)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-18-4-8-20(9-5-18)22(17-24)25-12-14-26(15-13-25)23(27)16-19-6-10-21(28-2)11-7-19/h4-11,22H,3,12-16H2,1-2H3
InChIKeyBTWAOYNSBRNTRR-UHFFFAOYSA-N
XLogP3.21
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butanoylpiperazin-1-yl)-2-(4-ethylphenyl)acetonitrile
CID 110350349
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
CID 63337328
2-(4-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 110349610
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349824
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-(4-chlorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 110350186
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 46100707
2-(4-ethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350465
2-(3-chlorophenyl)-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetonitrile
CID 110350144
2-(4-methoxyphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349956
2-(4-methylphenyl)-2-(4-propanoylpiperazin-1-yl)acetonitrile
CID 110349764
2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile
CID 78824020

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile (CID 110350372) is 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile is CCc1ccc(C(C#N)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile?
The InChIKey is BTWAOYNSBRNTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-18-4-8-20(9-5-18)22(17-24)25-12-14-26(15-13-25)23(27)16-19-6-10-21(28-2)11-7-19/h4-11,22H,3,12-16H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile?
2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile has a molecular weight of 377.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile is sourced from PubChem (CID 110350372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).