1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide

C18H17F2N3O4 — CID 86780953

IUPAC1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1
InChIInChI=1S/C18H17F2N3O4/c19-15-9-13(23(26)27)10-16(20)17(15)22-7-5-11(6-8-22)18(25)21-12-1-3-14(24)4-2-12/h1-4,9-11,24H,5-8H2,(H,21,25)
InChIKeyILPCAZJQVOQFNG-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide

1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 86780953) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID86780953
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1
InChIInChI=1S/C18H17F2N3O4/c19-15-9-13(23(26)27)10-16(20)17(15)22-7-5-11(6-8-22)18(25)21-12-1-3-14(24)4-2-12/h1-4,9-11,24H,5-8H2,(H,21,25)
InChIKeyILPCAZJQVOQFNG-UHFFFAOYSA-N
XLogP3.43
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluoro-4-nitrophenyl)pyrrolidin-3-ol
CID 58296081
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
N-(4-methylsulfanylphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 27365291
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478520
N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 17026707
1-(2-fluoro-4-nitrophenyl)piperidine-4-carboxylic acid
CID 19624566
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55722368
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide (CID 86780953) is 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(O)cc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1.
What is the InChIKey of 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is ILPCAZJQVOQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c19-15-9-13(23(26)27)10-16(20)17(15)22-7-5-11(6-8-22)18(25)21-12-1-3-14(24)4-2-12/h1-4,9-11,24H,5-8H2,(H,21,25).
What are the key properties of 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 377.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-nitrophenyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 86780953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).