1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone

C21H24N4O2 — CID 99961813

IUPAC1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n(C)c1
InChIInChI=1S/C21H24N4O2/c1-15(26)18-11-19(24(2)12-18)14-25-10-6-9-17(13-25)21-22-20(23-27-21)16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyLVRYBWZLSCLRCP-QGZVFWFLSA-N
MW364.45 g/mol
LogP3.66
Rot. Bonds5

About 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone

1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone (PubChem CID 99961813) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone
PubChem CID99961813
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n(C)c1
InChIInChI=1S/C21H24N4O2/c1-15(26)18-11-19(24(2)12-18)14-25-10-6-9-17(13-25)21-22-20(23-27-21)16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyLVRYBWZLSCLRCP-QGZVFWFLSA-N
XLogP3.66
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95130318
2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124730881
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299
2-phenyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 42760576
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanoic acid
CID 119921434
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 5126087
cyclopropyl-[3-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 127868766
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
[3,5-bis(trifluoromethyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4045470

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone (CID 99961813) is 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone is CC(=O)c1cc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n(C)c1.
What is the InChIKey of 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone?
The InChIKey is LVRYBWZLSCLRCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(26)18-11-19(24(2)12-18)14-25-10-6-9-17(13-25)21-22-20(23-27-21)16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone?
1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 99961813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).