1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one

C17H19ClN4O3 — CID 110396173

IUPAC1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1nnc(CCC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C17H19ClN4O3/c1-12-19-20-15(25-12)5-6-16(23)21-7-9-22(10-8-21)17(24)13-3-2-4-14(18)11-13/h2-4,11H,5-10H2,1H3
InChIKeyVZNLJAUUSMRSMB-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.95
Rot. Bonds4

About 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 110396173) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID110396173
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1nnc(CCC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C17H19ClN4O3/c1-12-19-20-15(25-12)5-6-16(23)21-7-9-22(10-8-21)17(24)13-3-2-4-14(18)11-13/h2-4,11H,5-10H2,1H3
InChIKeyVZNLJAUUSMRSMB-UHFFFAOYSA-N
XLogP1.95
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396174
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
CID 110396127
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33138783
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 166250034
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110396219
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120559709
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119703804
N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110742092
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818383
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110333615

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 110396173) is 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one is Cc1nnc(CCC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is VZNLJAUUSMRSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-12-19-20-15(25-12)5-6-16(23)21-7-9-22(10-8-21)17(24)13-3-2-4-14(18)11-13/h2-4,11H,5-10H2,1H3.
What are the key properties of 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 362.82 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 110396173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).