4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one

C15H19Cl2N3O2 — CID 119300386

IUPAC4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O2/c16-11-3-1-4-12(17)14(11)15(22)20-9-7-19(8-10-20)13(21)5-2-6-18/h1,3-4H,2,5-10,18H2
InChIKeyITNASZYMXVGMJC-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.02
Rot. Bonds4

About 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one

4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 119300386) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one
PubChem CID119300386
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H19Cl2N3O2/c16-11-3-1-4-12(17)14(11)15(22)20-9-7-19(8-10-20)13(21)5-2-6-18/h1,3-4H,2,5-10,18H2
InChIKeyITNASZYMXVGMJC-UHFFFAOYSA-N
XLogP2.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-3-ethylsulfanylpropan-1-one
CID 87042885
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one
CID 119309548
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119832689
(2,6-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6943179
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one (CID 119300386) is 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is ITNASZYMXVGMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c16-11-3-1-4-12(17)14(11)15(22)20-9-7-19(8-10-20)13(21)5-2-6-18/h1,3-4H,2,5-10,18H2.
What are the key properties of 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 344.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119300386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).