3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one

C17H27N3O — CID 109017526

IUPAC3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCNc2c(C)cccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-19-10-12-20(13-11-19)16(21)8-9-18-17-14(2)6-5-7-15(17)3/h5-7,18H,4,8-13H2,1-3H3
InChIKeyGITLWNUNYCEIDW-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.27
Rot. Bonds5

About 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one

3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 109017526) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID109017526
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCNc2c(C)cccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-19-10-12-20(13-11-19)16(21)8-9-18-17-14(2)6-5-7-15(17)3/h5-7,18H,4,8-13H2,1-3H3
InChIKeyGITLWNUNYCEIDW-UHFFFAOYSA-N
XLogP2.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
CID 109018185
3-(2,6-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029461
N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 109017571
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]benzoate
CID 109017613
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017604
2-[(4-ethylpiperazine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61190598
3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109031194
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(2,4,6-trimethylanilino)propan-1-one
CID 109029991

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 109017526) is 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)CCNc2c(C)cccc2C)CC1.
What is the InChIKey of 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is GITLWNUNYCEIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19-10-12-20(13-11-19)16(21)8-9-18-17-14(2)6-5-7-15(17)3/h5-7,18H,4,8-13H2,1-3H3.
What are the key properties of 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109017526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).