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

C20H26N4O3 — CID 110417224

IUPAC3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCN(c3nnc(C)o3)CC2)C2CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-14-21-22-20(27-14)24-11-9-23(10-12-24)19(25)13-18(15-3-4-15)16-5-7-17(26-2)8-6-16/h5-8,15,18H,3-4,9-13H2,1-2H3
InChIKeyACVPPSSUFLWVNA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.62
Rot. Bonds6

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

3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110417224) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110417224
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCN(c3nnc(C)o3)CC2)C2CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-14-21-22-20(27-14)24-11-9-23(10-12-24)19(25)13-18(15-3-4-15)16-5-7-17(26-2)8-6-16/h5-8,15,18H,3-4,9-13H2,1-2H3
InChIKeyACVPPSSUFLWVNA-UHFFFAOYSA-N
XLogP2.62
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085
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
2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110610820
3-cyclopropyl-3-(4-methoxyphenyl)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110305833
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid
CID 120684265
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419597
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110297471
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 110603034
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924
2-(3-fluorophenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110665118

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (CID 110417224) is 3-cyclopropyl-3-(4-methoxyphenyl)-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-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is COc1ccc(C(CC(=O)N2CCN(c3nnc(C)o3)CC2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is ACVPPSSUFLWVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-21-22-20(27-14)24-11-9-23(10-12-24)19(25)13-18(15-3-4-15)16-5-7-17(26-2)8-6-16/h5-8,15,18H,3-4,9-13H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110417224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).