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

C29H28N4O4 — CID 112829928

IUPAC1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C29H28N4O4/c34-27(16-15-26-30-31-28(37-26)23-9-5-2-6-10-23)32-17-19-33(20-18-32)29(35)24-11-13-25(14-12-24)36-21-22-7-3-1-4-8-22/h1-14H,15-21H2
InChIKeyGGRDUDSQBNXMKO-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.23
Rot. Bonds8

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

1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 112829928) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID112829928
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C29H28N4O4/c34-27(16-15-26-30-31-28(37-26)23-9-5-2-6-10-23)32-17-19-33(20-18-32)29(35)24-11-13-25(14-12-24)36-21-22-7-3-1-4-8-22/h1-14H,15-21H2
InChIKeyGGRDUDSQBNXMKO-UHFFFAOYSA-N
XLogP4.23
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
3-(3-methoxyphenyl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658534
3-amino-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119728405
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021
1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 110334025
[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 78882516
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 9077346
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 112829928) is 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is O=C(CCc1nnc(-c2ccccc2)o1)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is GGRDUDSQBNXMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c34-27(16-15-26-30-31-28(37-26)23-9-5-2-6-10-23)32-17-19-33(20-18-32)29(35)24-11-13-25(14-12-24)36-21-22-7-3-1-4-8-22/h1-14H,15-21H2.
What are the key properties of 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 496.57 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 112829928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).