N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide

C20H26N4O3 — CID 72904628

IUPACN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(c2ccccc2)CC1)NCc1noc(C2CCCO2)n1
InChIInChI=1S/C20H26N4O3/c25-19(21-13-18-22-20(27-23-18)17-7-4-12-26-17)14-24-10-8-16(9-11-24)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,21,25)
InChIKeyVWAMGRVWVQQRDW-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.42
Rot. Bonds6

About N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide

N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 72904628) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID72904628
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(c2ccccc2)CC1)NCc1noc(C2CCCO2)n1
InChIInChI=1S/C20H26N4O3/c25-19(21-13-18-22-20(27-23-18)17-7-4-12-26-17)14-24-10-8-16(9-11-24)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,21,25)
InChIKeyVWAMGRVWVQQRDW-UHFFFAOYSA-N
XLogP2.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 95867707
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 125164412
3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 95045939
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea
CID 125167789
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 70748676
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 124848975
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 135118136

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide (CID 72904628) is N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide is O=C(CN1CCC(c2ccccc2)CC1)NCc1noc(C2CCCO2)n1.
What is the InChIKey of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is VWAMGRVWVQQRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-19(21-13-18-22-20(27-23-18)17-7-4-12-26-17)14-24-10-8-16(9-11-24)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,21,25).
What are the key properties of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide?
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 72904628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).