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

C14H17Cl2N3O2 — CID 119300363

IUPAC3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-10-2-1-3-11(16)13(10)14(21)19-8-6-18(7-9-19)12(20)4-5-17/h1-3H,4-9,17H2
InChIKeyCPVHNGFBKMMQGQ-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 119300363) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
PubChem CID119300363
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-10-2-1-3-11(16)13(10)14(21)19-8-6-18(7-9-19)12(20)4-5-17/h1-3H,4-9,17H2
InChIKeyCPVHNGFBKMMQGQ-UHFFFAOYSA-N
XLogP1.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one
CID 119300386
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
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279427
(2,6-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6943179
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one (CID 119300363) is 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is CPVHNGFBKMMQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-10-2-1-3-11(16)13(10)14(21)19-8-6-18(7-9-19)12(20)4-5-17/h1-3H,4-9,17H2.
What are the key properties of 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 330.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119300363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).