(6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one

C18H17F2N3O3 — CID 70277697

IUPAC(6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one
SMILESO=C1CCC([N+](=O)[O-])[C@@H](c2cc(F)ccc2F)N1CCc1ccccn1
InChIInChI=1S/C18H17F2N3O3/c19-12-4-5-15(20)14(11-12)18-16(23(25)26)6-7-17(24)22(18)10-8-13-3-1-2-9-21-13/h1-5,9,11,16,18H,6-8,10H2/t16?,18-/m1/s1
InChIKeyJXDBXWKWLWCQRL-UHUGOGIASA-N
MW361.35 g/mol
LogP2.91
Rot. Bonds5

About (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one

(6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one (PubChem CID 70277697) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one
PubChem CID70277697
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name(6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one
SMILESO=C1CCC([N+](=O)[O-])[C@@H](c2cc(F)ccc2F)N1CCc1ccccn1
InChIInChI=1S/C18H17F2N3O3/c19-12-4-5-15(20)14(11-12)18-16(23(25)26)6-7-17(24)22(18)10-8-13-3-1-2-9-21-13/h1-5,9,11,16,18H,6-8,10H2/t16?,18-/m1/s1
InChIKeyJXDBXWKWLWCQRL-UHUGOGIASA-N
XLogP2.91
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-2-(2,5-difluorophenyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidin-3-yl]carbamate
CID 70277684
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
tert-butyl N-[(2R,5S)-2-(2,5-difluorophenyl)-5-iodo-6-oxo-1-(2-pyridin-2-ylethyl)piperidin-3-yl]carbamate
CID 143767052
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
(4aR,8aS)-6-[2-(2-fluorophenyl)acetyl]-1-(2-pyridin-2-ylethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133118241
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086760
5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61356316
5-cyclopropyl-2-(2,4-difluorophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-one
CID 68680239
(4aR,8aS)-6-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 29208188
(4aS,8aR)-6-[(4-methoxy-2-pyridinyl)methyl]-1-(2-pyridin-2-ylethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70732395
(4aS,8aR)-6-(3-hydroxybenzoyl)-1-(2-pyridin-2-ylethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70710494
(6-fluoro-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone;oxalic acid
CID 53492790

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one?
The IUPAC name of (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one (CID 70277697) is (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one.
What is the SMILES notation for (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one?
The canonical SMILES for (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one is O=C1CCC([N+](=O)[O-])[C@@H](c2cc(F)ccc2F)N1CCc1ccccn1.
What is the InChIKey of (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one?
The InChIKey is JXDBXWKWLWCQRL-UHUGOGIASA-N. The full InChI is InChI=1S/C18H17F2N3O3/c19-12-4-5-15(20)14(11-12)18-16(23(25)26)6-7-17(24)22(18)10-8-13-3-1-2-9-21-13/h1-5,9,11,16,18H,6-8,10H2/t16?,18-/m1/s1.
What are the key properties of (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one?
(6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one has a molecular weight of 361.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2,5-difluorophenyl)-5-nitro-1-(2-pyridin-2-ylethyl)piperidin-2-one is sourced from PubChem (CID 70277697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).