N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide

C20H28N4O2 — CID 30807597

IUPACN-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESCN(CCC#N)C(=O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-20(2,17-8-5-4-6-9-17)19(26)24-14-12-23(13-15-24)16-18(25)22(3)11-7-10-21/h4-6,8-9H,7,11-16H2,1-3H3
InChIKeyFRVDZOSMYCHZJV-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.48
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide

N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 30807597) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide
PubChem CID30807597
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESCN(CCC#N)C(=O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-20(2,17-8-5-4-6-9-17)19(26)24-14-12-23(13-15-24)16-18(25)22(3)11-7-10-21/h4-6,8-9H,7,11-16H2,1-3H3
InChIKeyFRVDZOSMYCHZJV-UHFFFAOYSA-N
XLogP1.48
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide (CID 30807597) is N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide is CN(CCC#N)C(=O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is FRVDZOSMYCHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2,17-8-5-4-6-9-17)19(26)24-14-12-23(13-15-24)16-18(25)22(3)11-7-10-21/h4-6,8-9H,7,11-16H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30807597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).