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

C15H21Cl2N3O — CID 109017608

IUPAC3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCNc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-19-8-10-20(11-9-19)14(21)6-7-18-15-12(16)4-3-5-13(15)17/h3-5,18H,2,6-11H2,1H3
InChIKeyHMPFIFIQEQUQEG-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.96
Rot. Bonds5

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

3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 109017608) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID109017608
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCNc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-19-8-10-20(11-9-19)14(21)6-7-18-15-12(16)4-3-5-13(15)17/h3-5,18H,2,6-11H2,1H3
InChIKeyHMPFIFIQEQUQEG-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017526
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100601115
3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017604
N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 109017571
2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995630
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
ethyl 4-[3-(3-chloro-2-methylanilino)propanoyl]piperazine-1-carboxylate
CID 109029054
4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 110427003
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]benzoate
CID 109017613

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 109017608) is 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)CCNc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is HMPFIFIQEQUQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-2-19-8-10-20(11-9-19)14(21)6-7-18-15-12(16)4-3-5-13(15)17/h3-5,18H,2,6-11H2,1H3.
What are the key properties of 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 330.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109017608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).