(5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one

C16H19FN2O3 — CID 25375387

IUPAC(5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCCO2)CN1Cc1cccc(F)c1
InChIInChI=1S/C16H19FN2O3/c17-14-4-1-3-12(9-14)10-18-11-13(5-6-15(18)20)16(21)19-7-2-8-22-19/h1,3-4,9,13H,2,5-8,10-11H2/t13-/m1/s1
InChIKeyHSEBPJDBDRLNBX-CYBMUJFWSA-N
MW306.34 g/mol
LogP1.73
Rot. Bonds3

About (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one

(5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one (PubChem CID 25375387) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
PubChem CID25375387
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCCO2)CN1Cc1cccc(F)c1
InChIInChI=1S/C16H19FN2O3/c17-14-4-1-3-12(9-14)10-18-11-13(5-6-15(18)20)16(21)19-7-2-8-22-19/h1,3-4,9,13H,2,5-8,10-11H2/t13-/m1/s1
InChIKeyHSEBPJDBDRLNBX-CYBMUJFWSA-N
XLogP1.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
(5R)-5-(azepane-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 42593464
(3R)-N-(2-ethoxyethyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42463392
(3R)-1-[(3-fluorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42591232
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25371700
(3R)-N-(1-benzothiophen-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26333823
(3R)-1-[(3-fluorophenyl)methyl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxopiperidine-3-carboxamide
CID 25385170
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(hydroxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 51903737
1-[(3-fluorophenyl)methyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 56715379
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25308685
(3R)-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 42097750

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one?
The IUPAC name of (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one (CID 25375387) is (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one.
What is the SMILES notation for (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one?
The canonical SMILES for (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one is O=C1CC[C@@H](C(=O)N2CCCO2)CN1Cc1cccc(F)c1.
What is the InChIKey of (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one?
The InChIKey is HSEBPJDBDRLNBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-14-4-1-3-12(9-14)10-18-11-13(5-6-15(18)20)16(21)19-7-2-8-22-19/h1,3-4,9,13H,2,5-8,10-11H2/t13-/m1/s1.
What are the key properties of (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one?
(5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one has a molecular weight of 306.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 25375387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).