1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one

C22H27N3O3 — CID 126791219

IUPAC1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCc1noc(-c2ccccc2)c1C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C22H27N3O3/c1-16-20(21(28-23-16)18-7-3-2-4-8-18)22(27)24-13-10-17(11-14-24)15-25-12-6-5-9-19(25)26/h2-4,7-8,17H,5-6,9-15H2,1H3
InChIKeyBHEMXDWYWFBLHF-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.51
Rot. Bonds4

About 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one

1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 126791219) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
PubChem CID126791219
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCc1noc(-c2ccccc2)c1C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C22H27N3O3/c1-16-20(21(28-23-16)18-7-3-2-4-8-18)22(27)24-13-10-17(11-14-24)15-25-12-6-5-9-19(25)26/h2-4,7-8,17H,5-6,9-15H2,1H3
InChIKeyBHEMXDWYWFBLHF-UHFFFAOYSA-N
XLogP3.51
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119945615
N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide
CID 126785610
4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119185875
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methyl-5-pyridin-4-yl-1,2-oxazol-4-yl)methanone
CID 83285947
1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 56792637
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 99775938
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 146104045
1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72939622
1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72901999
1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692904
4-[3-oxo-3-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]propyl]benzoic acid
CID 119185876

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one (CID 126791219) is 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one is Cc1noc(-c2ccccc2)c1C(=O)N1CCC(CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is BHEMXDWYWFBLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-20(21(28-23-16)18-7-3-2-4-8-18)22(27)24-13-10-17(11-14-24)15-25-12-6-5-9-19(25)26/h2-4,7-8,17H,5-6,9-15H2,1H3.
What are the key properties of 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 126791219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).