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

C21H27N3O — CID 112504483

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide
SMILESCCN1CCN(C(CNC(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-2-23-13-15-24(16-14-23)20(18-9-5-3-6-10-18)17-22-21(25)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,22,25)
InChIKeyVPYNQCNFHQJSNZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.80
Rot. Bonds6

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

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide (PubChem CID 112504483) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide
PubChem CID112504483
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide
SMILESCCN1CCN(C(CNC(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-2-23-13-15-24(16-14-23)20(18-9-5-3-6-10-18)17-22-21(25)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,22,25)
InChIKeyVPYNQCNFHQJSNZ-UHFFFAOYSA-N
XLogP2.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 112504470
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
CID 112504519
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 112505249
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 110302989
1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
CID 46964107

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide (CID 112504483) is N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide is CCN1CCN(C(CNC(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide?
The InChIKey is VPYNQCNFHQJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-23-13-15-24(16-14-23)20(18-9-5-3-6-10-18)17-22-21(25)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide?
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 2.80, 6 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]benzamide is sourced from PubChem (CID 112504483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).