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

C19H21Cl2N3O — CID 109027122

IUPAC3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCNc1c(Cl)cccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-16-7-4-8-17(21)19(16)22-10-9-18(25)24-13-11-23(12-14-24)15-5-2-1-3-6-15/h1-8,22H,9-14H2
InChIKeyUUQOTHBMGHBZIZ-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.14
Rot. Bonds5

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

3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 109027122) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID109027122
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCNc1c(Cl)cccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-16-7-4-8-17(21)19(16)22-10-9-18(25)24-13-11-23(12-14-24)15-5-2-1-3-6-15/h1-8,22H,9-14H2
InChIKeyUUQOTHBMGHBZIZ-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9338930
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002179
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
CID 109027097
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-(2,3-dichloroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029351
3-(benzylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109018934
2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
3-(2,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027051

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 109027122) is 3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCNc1c(Cl)cccc1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is UUQOTHBMGHBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-7-4-8-17(21)19(16)22-10-9-18(25)24-13-11-23(12-14-24)15-5-2-1-3-6-15/h1-8,22H,9-14H2.
What are the key properties of 3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 378.30 g/mol, XLogP of 4.14, 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-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109027122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).