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

C14H19Cl2N3O — CID 109017345

IUPAC3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCNc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-7-9-19(10-8-18)13(20)5-6-17-14-11(15)3-2-4-12(14)16/h2-4,17H,5-10H2,1H3
InChIKeyUARVWMVWTNVYFB-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.57
Rot. Bonds4

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

3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 109017345) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID109017345
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCNc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-7-9-19(10-8-18)13(20)5-6-17-14-11(15)3-2-4-12(14)16/h2-4,17H,5-10H2,1H3
InChIKeyUARVWMVWTNVYFB-UHFFFAOYSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
3-[[(1R)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100683786
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017526
3-chloro-2-[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]benzonitrile
CID 133354950
ethyl 4-[3-(3-chloro-2-methylanilino)propanoyl]piperazine-1-carboxylate
CID 109029054

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 109017345) is 3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCNc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is UARVWMVWTNVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-18-7-9-19(10-8-18)13(20)5-6-17-14-11(15)3-2-4-12(14)16/h2-4,17H,5-10H2,1H3.
What are the key properties of 3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one?
3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 316.23 g/mol, XLogP of 2.57, 4 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-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109017345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).