[(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C20H26N4O3 — CID 51728064

IUPAC[(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(-c2noc(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)n2)c1
InChIInChI=1S/C20H26N4O3/c1-15-4-2-5-16(12-15)19-21-18(27-22-19)14-23-7-3-6-17(13-23)20(25)24-8-10-26-11-9-24/h2,4-5,12,17H,3,6-11,13-14H2,1H3/t17-/m1/s1
InChIKeyNMBKJUOJVXSMPW-QGZVFWFLSA-N
MW370.45 g/mol
LogP2.12
Rot. Bonds4

About [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 51728064) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID51728064
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(-c2noc(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)n2)c1
InChIInChI=1S/C20H26N4O3/c1-15-4-2-5-16(12-15)19-21-18(27-22-19)14-23-7-3-6-17(13-23)20(25)24-8-10-26-11-9-24/h2,4-5,12,17H,3,6-11,13-14H2,1H3/t17-/m1/s1
InChIKeyNMBKJUOJVXSMPW-QGZVFWFLSA-N
XLogP2.12
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43929878
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929866
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43930302
[(3S)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 41305841
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303
3,4-dihydro-2H-quinolin-1-yl-[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 43930099
(3-methylpiperidin-1-yl)-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 43929304
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904127
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
N-(4-acetamidophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930027
N-[2-(dimethylamino)ethyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930134
[1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 43934272

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 51728064) is [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1cccc(-c2noc(CN3CCC[C@@H](C(=O)N4CCOCC4)C3)n2)c1.
What is the InChIKey of [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NMBKJUOJVXSMPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-4-2-5-16(12-15)19-21-18(27-22-19)14-23-7-3-6-17(13-23)20(25)24-8-10-26-11-9-24/h2,4-5,12,17H,3,6-11,13-14H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 370.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51728064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).