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

C22H32N4O2 — CID 110419618

IUPAC4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one
SMILESCc1nnc(N2CCN(C(=O)CC(c3ccc(C(C)C)cc3)C(C)C)CC2)o1
InChIInChI=1S/C22H32N4O2/c1-15(2)18-6-8-19(9-7-18)20(16(3)4)14-21(27)25-10-12-26(13-11-25)22-24-23-17(5)28-22/h6-9,15-16,20H,10-14H2,1-5H3
InChIKeyFIRQILUVEOAOCW-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.98
Rot. Bonds6

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

4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one (PubChem CID 110419618) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one
PubChem CID110419618
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one
SMILESCc1nnc(N2CCN(C(=O)CC(c3ccc(C(C)C)cc3)C(C)C)CC2)o1
InChIInChI=1S/C22H32N4O2/c1-15(2)18-6-8-19(9-7-18)20(16(3)4)14-21(27)25-10-12-26(13-11-25)22-24-23-17(5)28-22/h6-9,15-16,20H,10-14H2,1-5H3
InChIKeyFIRQILUVEOAOCW-UHFFFAOYSA-N
XLogP3.98
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419772
3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110417224
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110417225
3-(4-fluorophenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pentan-1-one
CID 110612093
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110665105
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417236
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 110603034
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110665106
N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110419080
3-(4-fluorophenyl)-4-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 110355854
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one?
The IUPAC name of 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one (CID 110419618) is 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one is Cc1nnc(N2CCN(C(=O)CC(c3ccc(C(C)C)cc3)C(C)C)CC2)o1.
What is the InChIKey of 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one?
The InChIKey is FIRQILUVEOAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-15(2)18-6-8-19(9-7-18)20(16(3)4)14-21(27)25-10-12-26(13-11-25)22-24-23-17(5)28-22/h6-9,15-16,20H,10-14H2,1-5H3.
What are the key properties of 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one?
4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one has a molecular weight of 384.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one is sourced from PubChem (CID 110419618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).