5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one

C16H18N2O4 — CID 99944641

IUPAC5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one
SMILESCOc1cccc([C@@H]2CCCCN2C(=O)c2cc(=O)[nH]o2)c1
InChIInChI=1S/C16H18N2O4/c1-21-12-6-4-5-11(9-12)13-7-2-3-8-18(13)16(20)14-10-15(19)17-22-14/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyACUHXXGFZAMCOG-ZDUSSCGKSA-N
MW302.33 g/mol
LogP2.34
Rot. Bonds3

About 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one

5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one (PubChem CID 99944641) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one
PubChem CID99944641
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one
SMILESCOc1cccc([C@@H]2CCCCN2C(=O)c2cc(=O)[nH]o2)c1
InChIInChI=1S/C16H18N2O4/c1-21-12-6-4-5-11(9-12)13-7-2-3-8-18(13)16(20)14-10-15(19)17-22-14/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyACUHXXGFZAMCOG-ZDUSSCGKSA-N
XLogP2.34
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 96580017
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70712326
1-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 118781505
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one (CID 99944641) is 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one is COc1cccc([C@@H]2CCCCN2C(=O)c2cc(=O)[nH]o2)c1.
What is the InChIKey of 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one?
The InChIKey is ACUHXXGFZAMCOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-12-6-4-5-11(9-12)13-7-2-3-8-18(13)16(20)14-10-15(19)17-22-14/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one?
5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one has a molecular weight of 302.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one is sourced from PubChem (CID 99944641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).