N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide

C22H29N3O — CID 112504499

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
SMILESCCN1CCN(C(CNC(=O)Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-2-24-13-15-25(16-14-24)21(20-11-7-4-8-12-20)18-23-22(26)17-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3,(H,23,26)
InChIKeyJMKGWMGQJGAQNV-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide (PubChem CID 112504499) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
PubChem CID112504499
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
SMILESCCN1CCN(C(CNC(=O)Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-2-24-13-15-25(16-14-24)21(20-11-7-4-8-12-20)18-23-22(26)17-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3,(H,23,26)
InChIKeyJMKGWMGQJGAQNV-UHFFFAOYSA-N
XLogP2.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112504483
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 112504470
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
CID 112504519
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 112505249
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 110302989
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide
CID 51631275
3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55336268
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide (CID 112504499) is N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide is CCN1CCN(C(CNC(=O)Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide?
The InChIKey is JMKGWMGQJGAQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-24-13-15-25(16-14-24)21(20-11-7-4-8-12-20)18-23-22(26)17-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide?
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide has a molecular weight of 351.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide is sourced from PubChem (CID 112504499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).