N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide

C23H28N4O2 — CID 78792864

IUPACN-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
SMILESN#CCCN(C(=O)CN1CCN(CCOc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c24-12-7-13-27(21-8-3-1-4-9-21)23(28)20-26-16-14-25(15-17-26)18-19-29-22-10-5-2-6-11-22/h1-6,8-11H,7,13-20H2
InChIKeyIXWKADRUTFSFMO-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.63
Rot. Bonds9

About N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide

N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 78792864) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID78792864
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
SMILESN#CCCN(C(=O)CN1CCN(CCOc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c24-12-7-13-27(21-8-3-1-4-9-21)23(28)20-26-16-14-25(15-17-26)18-19-29-22-10-5-2-6-11-22/h1-6,8-11H,7,13-20H2
InChIKeyIXWKADRUTFSFMO-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 24565043
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 78789242
(2S)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pentanedinitrile
CID 32526421
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 52621407
N-(2-cyanoethyl)-4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-oxo-N-phenylbutanamide
CID 56515812
N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881384

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide (CID 78792864) is N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide is N#CCCN(C(=O)CN1CCN(CCOc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is IXWKADRUTFSFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c24-12-7-13-27(21-8-3-1-4-9-21)23(28)20-26-16-14-25(15-17-26)18-19-29-22-10-5-2-6-11-22/h1-6,8-11H,7,13-20H2.
What are the key properties of N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide?
N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 392.50 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 78792864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).