[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C20H28N6O4 — CID 95791836

IUPAC[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC[C@@H](Cn3cc(C(=O)N4CCOCC4)nn3)C2)no1
InChIInChI=1S/C20H28N6O4/c1-2-4-16-11-17(22-30-16)19(27)25-6-3-5-15(12-25)13-26-14-18(21-23-26)20(28)24-7-9-29-10-8-24/h11,14-15H,2-10,12-13H2,1H3/t15-/m1/s1
InChIKeyYLZRERWRGTXIFI-OAHLLOKOSA-N
MW416.48 g/mol
LogP1.24
Rot. Bonds6

About [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 95791836) has the molecular formula C20H28N6O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID95791836
Molecular FormulaC20H28N6O4
Molecular Weight416.48 g/mol
Exact Mass416.22
IUPAC Name[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC[C@@H](Cn3cc(C(=O)N4CCOCC4)nn3)C2)no1
InChIInChI=1S/C20H28N6O4/c1-2-4-16-11-17(22-30-16)19(27)25-6-3-5-15(12-25)13-26-14-18(21-23-26)20(28)24-7-9-29-10-8-24/h11,14-15H,2-10,12-13H2,1H3/t15-/m1/s1
InChIKeyYLZRERWRGTXIFI-OAHLLOKOSA-N
XLogP1.24
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952364
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 46950587
[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone
CID 16671265
(5-propyl-1,2-oxazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124986927
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 22427573
(5-ethyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone
CID 53001425
(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 70710534
1-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95193191
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 75260817
[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 45210866
[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 25491092

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 95791836) is [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC[C@@H](Cn3cc(C(=O)N4CCOCC4)nn3)C2)no1.
What is the InChIKey of [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YLZRERWRGTXIFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N6O4/c1-2-4-16-11-17(22-30-16)19(27)25-6-3-5-15(12-25)13-26-14-18(21-23-26)20(28)24-7-9-29-10-8-24/h11,14-15H,2-10,12-13H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 416.48 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 95791836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).