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

C20H26N4O3 — CID 78789242

IUPACN-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESN#CCCN(C(=O)CN1CCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C20H26N4O3/c21-9-5-10-24(17-6-2-1-3-7-17)19(25)16-22-11-13-23(14-12-22)20(26)18-8-4-15-27-18/h1-3,6-7,18H,4-5,8,10-16H2
InChIKeyIZVFGMVAUCQBNT-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.26
Rot. Bonds6

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

N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 78789242) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID78789242
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESN#CCCN(C(=O)CN1CCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C20H26N4O3/c21-9-5-10-24(17-6-2-1-3-7-17)19(25)16-22-11-13-23(14-12-22)20(26)18-8-4-15-27-18/h1-3,6-7,18H,4-5,8,10-16H2
InChIKeyIZVFGMVAUCQBNT-UHFFFAOYSA-N
XLogP1.26
TPSA76.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
CID 78792864
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone
CID 138385577
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide (CID 78789242) is N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide is N#CCCN(C(=O)CN1CCN(C(=O)C2CCCO2)CC1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is IZVFGMVAUCQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c21-9-5-10-24(17-6-2-1-3-7-17)19(25)16-22-11-13-23(14-12-22)20(26)18-8-4-15-27-18/h1-3,6-7,18H,4-5,8,10-16H2.
What are the key properties of N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 370.45 g/mol, XLogP of 1.26, 6 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-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 78789242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).