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

C17H22N4O2 — CID 110395562

IUPAC1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1nnc(CN2CCN(C(=O)CCc3ccccc3)CC2)o1
InChIInChI=1S/C17H22N4O2/c1-14-18-19-16(23-14)13-20-9-11-21(12-10-20)17(22)8-7-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3
InChIKeyUOLBOBNMCJQHTO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.66
Rot. Bonds5

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

1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110395562) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110395562
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1nnc(CN2CCN(C(=O)CCc3ccccc3)CC2)o1
InChIInChI=1S/C17H22N4O2/c1-14-18-19-16(23-14)13-20-9-11-21(12-10-20)17(22)8-7-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3
InChIKeyUOLBOBNMCJQHTO-UHFFFAOYSA-N
XLogP1.66
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

1-Acetyl-4-{3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoyl}piperazine
CID 16187509
2-(4-{3-[5-(4-Phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoyl}-1-piperazinyl)ethanol
CID 16190073
(3S)-1-ethyl-3-methyl-4-{3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoyl}piperazin-2-one
CID 16191043
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 53514009
1-[(5-Methyl-1,3,4-oxadiazol-2-YL)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56904163
2-[(4-Benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole
CID 71988753
N-[(5-Ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-YL)acetamide
CID 72865994
1-(4-(5-Isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-2-phenylbutan-1-one
CID 44062037
3-(4-Chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-YL)methyl]-3-phenylpropanamide
CID 45171905
1'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2-phenylethyl)-1,4'-bipiperidine-3-carboxamide
CID 70717224
(4aS*,8aR*)-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-phenylethyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70745118
(2S,5S,11S)-5-benzyl-13-ethyl-2,11-dimethyl-3,6,9,12-tetraaza-1(2,5)-oxadiazolacyclotridecaphane-4,7,10-trione
CID 122164885

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one (CID 110395562) is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one is Cc1nnc(CN2CCN(C(=O)CCc3ccccc3)CC2)o1.
What is the InChIKey of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is UOLBOBNMCJQHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-18-19-16(23-14)13-20-9-11-21(12-10-20)17(22)8-7-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3.
What are the key properties of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110395562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).