morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone

C17H28N4O3 — CID 98717396

IUPACmorpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone
SMILESCC(C)c1noc([C@@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C17H28N4O3/c1-12(2)15-18-16(24-19-15)13(3)21-6-4-5-14(11-21)17(22)20-7-9-23-10-8-20/h12-14H,4-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyNBZQHGUNBZJZSS-ZIAGYGMSSA-N
MW336.44 g/mol
LogP1.82
Rot. Bonds4

About morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone

morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone (PubChem CID 98717396) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone
PubChem CID98717396
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Namemorpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone
SMILESCC(C)c1noc([C@@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C17H28N4O3/c1-12(2)15-18-16(24-19-15)13(3)21-6-4-5-14(11-21)17(22)20-7-9-23-10-8-20/h12-14H,4-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyNBZQHGUNBZJZSS-ZIAGYGMSSA-N
XLogP1.82
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 95299260
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
CID 94412485
3-methyl-5-[(3S)-1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 94571823
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
N-(cyclopropylmethyl)-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 51081862
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
(3R)-N-(cyclopropylmethyl)-1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 100840567
morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone
CID 47040772
[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 125161347

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone (CID 98717396) is morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone is CC(C)c1noc([C@@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone?
The InChIKey is NBZQHGUNBZJZSS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12(2)15-18-16(24-19-15)13(3)21-6-4-5-14(11-21)17(22)20-7-9-23-10-8-20/h12-14H,4-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone?
morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3R)-1-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanone is sourced from PubChem (CID 98717396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).