3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one

C14H17Cl2N3O2 — CID 119279427

IUPAC3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-7-10(8-12(16)9-11)14(21)19-5-3-18(4-6-19)13(20)1-2-17/h7-9H,1-6,17H2
InChIKeyHAEFKKXPDSMVGW-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 119279427) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
PubChem CID119279427
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-7-10(8-12(16)9-11)14(21)19-5-3-18(4-6-19)13(20)1-2-17/h7-9H,1-6,17H2
InChIKeyHAEFKKXPDSMVGW-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-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 120559752
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 60615923
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55556424
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119309527
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939281
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one (CID 119279427) is 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is HAEFKKXPDSMVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-11-7-10(8-12(16)9-11)14(21)19-5-3-18(4-6-19)13(20)1-2-17/h7-9H,1-6,17H2.
What are the key properties of 3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(3,5-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-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119279427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).