(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

C19H30N4O3 — CID 97154324

IUPAC(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESO=C1CC[C@H](c2nc(CN3CCOCC3)no2)CN1CC1CCCCC1
InChIInChI=1S/C19H30N4O3/c24-18-7-6-16(13-23(18)12-15-4-2-1-3-5-15)19-20-17(21-26-19)14-22-8-10-25-11-9-22/h15-16H,1-14H2/t16-/m0/s1
InChIKeyOROSUMSFNLITLA-INIZCTEOSA-N
MW362.47 g/mol
LogP2.19
Rot. Bonds5

About (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 97154324) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID97154324
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESO=C1CC[C@H](c2nc(CN3CCOCC3)no2)CN1CC1CCCCC1
InChIInChI=1S/C19H30N4O3/c24-18-7-6-16(13-23(18)12-15-4-2-1-3-5-15)19-20-17(21-26-19)14-22-8-10-25-11-9-22/h15-16H,1-14H2/t16-/m0/s1
InChIKeyOROSUMSFNLITLA-INIZCTEOSA-N
XLogP2.19
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one with MolForge

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Related Compounds

1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72941264
(5S)-1-cyclopropyl-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97143936
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455337
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
CID 72872779
(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97454421
(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one
CID 95196636
2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864925
(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97157056
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 97146889
(5R)-1-[(4-chlorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97133541
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630226

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 97154324) is (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is O=C1CC[C@H](c2nc(CN3CCOCC3)no2)CN1CC1CCCCC1.
What is the InChIKey of (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is OROSUMSFNLITLA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O3/c24-18-7-6-16(13-23(18)12-15-4-2-1-3-5-15)19-20-17(21-26-19)14-22-8-10-25-11-9-22/h15-16H,1-14H2/t16-/m0/s1.
What are the key properties of (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 97154324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).