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

C20H25FN4O2 — CID 110417225

IUPAC3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1nnc(N2CCN(C(=O)CC(c3ccc(F)c(C)c3)C3CC3)CC2)o1
InChIInChI=1S/C20H25FN4O2/c1-13-11-16(5-6-18(13)21)17(15-3-4-15)12-19(26)24-7-9-25(10-8-24)20-23-22-14(2)27-20/h5-6,11,15,17H,3-4,7-10,12H2,1-2H3
InChIKeySCXZMVHRXHYJRI-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.06
Rot. Bonds5

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

3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110417225) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110417225
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1nnc(N2CCN(C(=O)CC(c3ccc(F)c(C)c3)C3CC3)CC2)o1
InChIInChI=1S/C20H25FN4O2/c1-13-11-16(5-6-18(13)21)17(15-3-4-15)12-19(26)24-7-9-25(10-8-24)20-23-22-14(2)27-20/h5-6,11,15,17H,3-4,7-10,12H2,1-2H3
InChIKeySCXZMVHRXHYJRI-UHFFFAOYSA-N
XLogP3.06
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 110304874
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
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
CID 110673883
(E)-3-(4-fluoro-3-methylphenyl)-4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pent-2-en-1-one
CID 110419613
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110665105
4-[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]-3-(4-fluorophenyl)piperazin-2-one
CID 110426002
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417236
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110297471
ethyl 4-[[3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110297431

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 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) is 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is Cc1nnc(N2CCN(C(=O)CC(c3ccc(F)c(C)c3)C3CC3)CC2)o1.
What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is SCXZMVHRXHYJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-13-11-16(5-6-18(13)21)17(15-3-4-15)12-19(26)24-7-9-25(10-8-24)20-23-22-14(2)27-20/h5-6,11,15,17H,3-4,7-10,12H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 372.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110417225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).