2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide

C14H17Cl2N3O2 — CID 134063131

IUPAC2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-9(13(17)20)18-2-4-19(5-3-18)14(21)10-6-11(15)8-12(16)7-10/h6-9H,2-5H2,1H3,(H2,17,20)
InChIKeyQJDJWHVNQFOBAE-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide

2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide (PubChem CID 134063131) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide
PubChem CID134063131
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-9(13(17)20)18-2-4-19(5-3-18)14(21)10-6-11(15)8-12(16)7-10/h6-9H,2-5H2,1H3,(H2,17,20)
InChIKeyQJDJWHVNQFOBAE-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
CID 110750479
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082
4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 120559752
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012457
2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide
CID 110750457
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
2-[4-(3-chloro-5-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 81323569
3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279427
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
CID 110750504
1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 103826408
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide (CID 134063131) is 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide?
The InChIKey is QJDJWHVNQFOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-9(13(17)20)18-2-4-19(5-3-18)14(21)10-6-11(15)8-12(16)7-10/h6-9H,2-5H2,1H3,(H2,17,20).
What are the key properties of 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide?
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide has a molecular weight of 330.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 134063131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).