2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide

C22H26N4O — CID 55355595

IUPAC2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N4O/c1-18(21-5-3-2-4-6-21)24-22(27)17-26-13-11-25(12-14-26)16-20-9-7-19(15-23)8-10-20/h2-10,18H,11-14,16-17H2,1H3,(H,24,27)
InChIKeyQOKGLCUMCVKKRC-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.55
Rot. Bonds6

About 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 55355595) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID55355595
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N4O/c1-18(21-5-3-2-4-6-21)24-22(27)17-26-13-11-25(12-14-26)16-20-9-7-19(15-23)8-10-20/h2-10,18H,11-14,16-17H2,1H3,(H,24,27)
InChIKeyQOKGLCUMCVKKRC-UHFFFAOYSA-N
XLogP2.55
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55484019
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-(4-benzyl-1,4-diazepan-1-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18151861
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348715
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetic acid
CID 43396853
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 9398852
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide
CID 46667188

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 55355595) is 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is QOKGLCUMCVKKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-18(21-5-3-2-4-6-21)24-22(27)17-26-13-11-25(12-14-26)16-20-9-7-19(15-23)8-10-20/h2-10,18H,11-14,16-17H2,1H3,(H,24,27).
What are the key properties of 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 362.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 55355595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).