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

C14H18FN3O3 — CID 114428072

IUPAC4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C14H18FN3O3/c1-2-9-5-6-16-13(7-9)14(19)17-12-8-10(18(20)21)3-4-11(12)15/h3-4,8-9,13,16H,2,5-7H2,1H3,(H,17,19)
InChIKeyALIAGOUXDLVXGD-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.45
Rot. Bonds4

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

4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide (PubChem CID 114428072) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
PubChem CID114428072
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C14H18FN3O3/c1-2-9-5-6-16-13(7-9)14(19)17-12-8-10(18(20)21)3-4-11(12)15/h3-4,8-9,13,16H,2,5-7H2,1H3,(H,17,19)
InChIKeyALIAGOUXDLVXGD-UHFFFAOYSA-N
XLogP2.45
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
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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Related Compounds

3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 114428301
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
4-ethyl-N-(3-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 114428836
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114429344
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305
(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
CID 104913764
3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 63042162
N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114428897
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide (CID 114428072) is 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1.
What is the InChIKey of 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is ALIAGOUXDLVXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-2-9-5-6-16-13(7-9)14(19)17-12-8-10(18(20)21)3-4-11(12)15/h3-4,8-9,13,16H,2,5-7H2,1H3,(H,17,19).
What are the key properties of 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide?
4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 114428072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).