3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide

C17H27N3O — CID 109017626

IUPAC3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCCN1CCN(CCC(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-3-19-10-12-20(13-11-19)9-8-17(21)18-14-16-7-5-4-6-15(16)2/h4-7H,3,8-14H2,1-2H3,(H,18,21)
InChIKeyMWTFJMCYJWEVMQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.64
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide

3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 109017626) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID109017626
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCCN1CCN(CCC(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-3-19-10-12-20(13-11-19)9-8-17(21)18-14-16-7-5-4-6-15(16)2/h4-7H,3,8-14H2,1-2H3,(H,18,21)
InChIKeyMWTFJMCYJWEVMQ-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 109019119
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108960856
3-(2,5-dimethylpyrrol-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 110688931
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
N-[(2-methylphenyl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686856
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
3-(2-ethyl-6-methylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019154
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55664754
N-cyclopropyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 51103973
N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95969501

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide (CID 109017626) is 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide is CCN1CCN(CCC(=O)NCc2ccccc2C)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is MWTFJMCYJWEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19-10-12-20(13-11-19)9-8-17(21)18-14-16-7-5-4-6-15(16)2/h4-7H,3,8-14H2,1-2H3,(H,18,21).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide?
3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109017626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).