[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C15H21N3O3 — CID 95828746

IUPAC[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)co1
InChIInChI=1S/C15H21N3O3/c1-11-16-13(10-21-11)15(20)18-8-4-5-12(9-18)14(19)17-6-2-3-7-17/h10,12H,2-9H2,1H3/t12-/m1/s1
InChIKeyUPMQEDKLRNOMSU-GFCCVEGCSA-N
MW291.35 g/mol
LogP1.46
Rot. Bonds2

About [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95828746) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID95828746
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)co1
InChIInChI=1S/C15H21N3O3/c1-11-16-13(10-21-11)15(20)18-8-4-5-12(9-18)14(19)17-6-2-3-7-17/h10,12H,2-9H2,1H3/t12-/m1/s1
InChIKeyUPMQEDKLRNOMSU-GFCCVEGCSA-N
XLogP1.46
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 100802472
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
(2-methyl-1,3-oxazol-4-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947235
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
(2-methyl-1,3-oxazol-4-yl)-[(3S)-3-(3-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95844320
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823457
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110119168
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124980606
(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide
CID 124949487

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 95828746) is [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1nc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)co1.
What is the InChIKey of [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UPMQEDKLRNOMSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-16-13(10-21-11)15(20)18-8-4-5-12(9-18)14(19)17-6-2-3-7-17/h10,12H,2-9H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 291.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95828746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).