(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

C17H28N4O3 — CID 97157056

IUPAC(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCOCCN1C[C@H](c2nc(CC3CCN(C)CC3)no2)CCC1=O
InChIInChI=1S/C17H28N4O3/c1-20-7-5-13(6-8-20)11-15-18-17(24-19-15)14-3-4-16(22)21(12-14)9-10-23-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyPDIISMIQCIEIEO-CQSZACIVSA-N
MW336.44 g/mol
LogP1.31
Rot. Bonds6

About (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 97157056) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID97157056
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCOCCN1C[C@H](c2nc(CC3CCN(C)CC3)no2)CCC1=O
InChIInChI=1S/C17H28N4O3/c1-20-7-5-13(6-8-20)11-15-18-17(24-19-15)14-3-4-16(22)21(12-14)9-10-23-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyPDIISMIQCIEIEO-CQSZACIVSA-N
XLogP1.31
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one with MolForge

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Related Compounds

1-(2-methoxyethyl)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72882973
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 154759331
(5R)-1-[(4-chlorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97133541
(5R)-1-[(2-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97118378
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 97146889
(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97110556
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455017
1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72941264
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 72870039
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 97123469
1-[(2-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72892271
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72838295

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 97157056) is (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is COCCN1C[C@H](c2nc(CC3CCN(C)CC3)no2)CCC1=O.
What is the InChIKey of (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is PDIISMIQCIEIEO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-20-7-5-13(6-8-20)11-15-18-17(24-19-15)14-3-4-16(22)21(12-14)9-10-23-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 336.44 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 97157056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).