N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide

C15H20FN3O4 — CID 133360505

IUPACN-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H20FN3O4/c1-3-17-15(20)10-5-4-6-18(9-10)12-8-14(23-2)11(16)7-13(12)19(21)22/h7-8,10H,3-6,9H2,1-2H3,(H,17,20)
InChIKeyWISBTPZGBUOYBL-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.10
Rot. Bonds5

About N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide

N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide (PubChem CID 133360505) has the molecular formula C15H20FN3O4 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
PubChem CID133360505
Molecular FormulaC15H20FN3O4
Molecular Weight325.34 g/mol
Exact Mass325.14
IUPAC NameN-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H20FN3O4/c1-3-17-15(20)10-5-4-6-18(9-10)12-8-14(23-2)11(16)7-13(12)19(21)22/h7-8,10H,3-6,9H2,1-2H3,(H,17,20)
InChIKeyWISBTPZGBUOYBL-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-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 133360955
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-3-yl]azepane
CID 133454425
1-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-3-yl]methyl]azepane
CID 133378915
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133360652
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115317049
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
CID 107260557
1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine
CID 133448393
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
1-(3-fluoro-5-methoxy-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133341208

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide (CID 133360505) is N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide is CCNC(=O)C1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is WISBTPZGBUOYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4/c1-3-17-15(20)10-5-4-6-18(9-10)12-8-14(23-2)11(16)7-13(12)19(21)22/h7-8,10H,3-6,9H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide?
N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide 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 N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 133360505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).