[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

C21H26N2O4 — CID 51510402

IUPAC[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C21H26N2O4/c1-13(2)26-18-9-5-7-16(11-18)20(24)17-8-6-10-23(12-17)21(25)19-14(3)22-27-15(19)4/h5,7,9,11,13,17H,6,8,10,12H2,1-4H3/t17-/m1/s1
InChIKeyDBBMBXRPSFZEQB-QGZVFWFLSA-N
MW370.45 g/mol
LogP3.81
Rot. Bonds5

About [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (PubChem CID 51510402) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
PubChem CID51510402
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C21H26N2O4/c1-13(2)26-18-9-5-7-16(11-18)20(24)17-8-6-10-23(12-17)21(25)19-14(3)22-27-15(19)4/h5,7,9,11,13,17H,6,8,10,12H2,1-4H3/t17-/m1/s1
InChIKeyDBBMBXRPSFZEQB-QGZVFWFLSA-N
XLogP3.81
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone with MolForge

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Related Compounds

[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25449303
[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 24791987
[(3S)-1-(3-ethynylbenzoyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26409527
[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 95717856
[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 95717857
(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 26406225
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 42115571
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (CID 51510402) is [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is Cc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1.
What is the InChIKey of [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is DBBMBXRPSFZEQB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(2)26-18-9-5-7-16(11-18)20(24)17-8-6-10-23(12-17)21(25)19-14(3)22-27-15(19)4/h5,7,9,11,13,17H,6,8,10,12H2,1-4H3/t17-/m1/s1.
What are the key properties of [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 370.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 51510402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).