2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide

C15H20FN3O4 — CID 133341450

IUPAC2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H20FN3O4/c1-17-14(20)7-10-3-5-18(6-4-10)13-9-11(23-2)8-12(16)15(13)19(21)22/h8-10H,3-7H2,1-2H3,(H,17,20)
InChIKeyPBRIKGXDQAAOFO-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.10
Rot. Bonds5

About 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide

2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 133341450) has the molecular formula C15H20FN3O4 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide
PubChem CID133341450
Molecular FormulaC15H20FN3O4
Molecular Weight325.34 g/mol
Exact Mass325.14
IUPAC Name2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H20FN3O4/c1-17-14(20)7-10-3-5-18(6-4-10)13-9-11(23-2)8-12(16)15(13)19(21)22/h8-10H,3-7H2,1-2H3,(H,17,20)
InChIKeyPBRIKGXDQAAOFO-UHFFFAOYSA-N
XLogP2.10
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133337409
1-(3-fluoro-5-methoxy-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133341208
1-(3-fluoro-5-methoxy-2-nitrophenyl)-4-(triazol-1-yl)piperidine
CID 133455633
N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide
CID 133341455
N-[[1-(3-methoxy-5-nitrophenyl)piperidin-4-yl]methyl]ethanamine
CID 80743776
5-[4-(3-fluoro-5-methoxy-2-nitrophenyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133341228
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63249355
methyl 1-(3,5-difluoro-2-nitrophenyl)piperidine-3-carboxylate
CID 115538389
1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62689473
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
N-[[1-(5-bromo-4-fluoro-2-nitrophenyl)piperidin-4-yl]methyl]ethanamine
CID 116739573

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide (CID 133341450) is 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is PBRIKGXDQAAOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4/c1-17-14(20)7-10-3-5-18(6-4-10)13-9-11(23-2)8-12(16)15(13)19(21)22/h8-10H,3-7H2,1-2H3,(H,17,20).
What are the key properties of 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide?
2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 325.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 133341450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).