1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C22H24N4O3 — CID 55623292

IUPAC1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2cccnc2)no1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C22H24N4O3/c27-21(9-8-20-24-22(25-29-20)18-7-4-12-23-15-18)26-13-10-19(11-14-26)28-16-17-5-2-1-3-6-17/h1-7,12,15,19H,8-11,13-14,16H2
InChIKeyCUJCSBLNEFDQCV-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.27
Rot. Bonds7

About 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 55623292) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID55623292
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2cccnc2)no1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C22H24N4O3/c27-21(9-8-20-24-22(25-29-20)18-7-4-12-23-15-18)26-13-10-19(11-14-26)28-16-17-5-2-1-3-6-17/h1-7,12,15,19H,8-11,13-14,16H2
InChIKeyCUJCSBLNEFDQCV-UHFFFAOYSA-N
XLogP3.27
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70707923
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]butan-1-one
CID 90647780
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 55622804
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 47027058
1-[(3S)-3-benzylpiperidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 92574520
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55712375
N-propan-2-yl-2-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 55622853
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55622779

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 55623292) is 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one is O=C(CCc1nc(-c2cccnc2)no1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is CUJCSBLNEFDQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-21(9-8-20-24-22(25-29-20)18-7-4-12-23-15-18)26-13-10-19(11-14-26)28-16-17-5-2-1-3-6-17/h1-7,12,15,19H,8-11,13-14,16H2.
What are the key properties of 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 392.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 55623292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).