5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one

C16H26N2O2 — CID 66732212

IUPAC5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
SMILESCN1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1CC1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-18-8-7-13(15-11-16(19)17-20-15)10-14(18)9-12-5-3-2-4-6-12/h11-14H,2-10H2,1H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyAELMUNMMVKUJDG-ZIAGYGMSSA-N
MW278.40 g/mol
LogP3.12
Rot. Bonds3

About 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one

5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 66732212) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
PubChem CID66732212
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
SMILESCN1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1CC1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-18-8-7-13(15-11-16(19)17-20-15)10-14(18)9-12-5-3-2-4-6-12/h11-14H,2-10H2,1H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyAELMUNMMVKUJDG-ZIAGYGMSSA-N
XLogP3.12
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S,4S)-2-(3,3-dimethylbutyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
CID 123945170
5-[(2R,4S)-2-[(2,4-difluorophenyl)methyl]-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
CID 66732363
5-[(2S,4S)-2-(difluoromethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
CID 123648431
5-[2-(2,4-dichlorophenyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
CID 66732565
methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
CID 68503801
5-[6-(imidazol-1-ylmethyl)cyclodecyl]-1,2-oxazol-3-one
CID 134441239
(2S,4R)-2-[(2,6-difluorophenyl)methyl]-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
CID 141283137
(2S,4S)-2-[(2-fluorophenyl)methyl]-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
CID 141283158
(2R,4S)-2-(3,5-dichlorophenyl)-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
CID 141283100
5-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 66732459
acetic acid;5-piperidin-4-yl-1,2-oxazol-3-one
CID 174656879
2-(cyclohexylmethyl)-1-azabicyclo[2.2.2]octan-3-one
CID 67924238

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one (CID 66732212) is 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one is CN1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1CC1CCCCC1.
What is the InChIKey of 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is AELMUNMMVKUJDG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18-8-7-13(15-11-16(19)17-20-15)10-14(18)9-12-5-3-2-4-6-12/h11-14H,2-10H2,1H3,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one?
5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 278.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-2-(cyclohexylmethyl)-1-methylpiperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 66732212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).