3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one

C18H29N3O — CID 109017462

IUPAC3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCN(CC)Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-3-19-12-14-21(15-13-19)18(22)10-11-20(4-2)16-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3
InChIKeyNVCFGIHBVMSGFH-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.06
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one

3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 109017462) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID109017462
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCN(CC)Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-3-19-12-14-21(15-13-19)18(22)10-11-20(4-2)16-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3
InChIKeyNVCFGIHBVMSGFH-UHFFFAOYSA-N
XLogP2.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
3-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109023028
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
ethyl 2-[benzyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]acetate
CID 99788120
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030489
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate
CID 110603452
3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981536
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118911
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide
CID 8563436

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 109017462) is 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)CCN(CC)Cc2ccccc2)CC1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is NVCFGIHBVMSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-19-12-14-21(15-13-19)18(22)10-11-20(4-2)16-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 303.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109017462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).