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

C13H18FN3O — CID 114429180

IUPAC4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2ccc(F)cn2)C1
InChIInChI=1S/C13H18FN3O/c1-2-9-5-6-15-11(7-9)13(18)17-12-4-3-10(14)8-16-12/h3-4,8-9,11,15H,2,5-7H2,1H3,(H,16,17,18)
InChIKeyQTYALNVLMRYFHB-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.94
Rot. Bonds3

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

4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide (PubChem CID 114429180) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
PubChem CID114429180
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2ccc(F)cn2)C1
InChIInChI=1S/C13H18FN3O/c1-2-9-5-6-15-11(7-9)13(18)17-12-4-3-10(14)8-16-12/h3-4,8-9,11,15H,2,5-7H2,1H3,(H,16,17,18)
InChIKeyQTYALNVLMRYFHB-UHFFFAOYSA-N
XLogP1.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 114428961
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002
N-[6-(dimethylamino)-3-pyridinyl]-4-ethylpiperidine-2-carboxamide
CID 114428224
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
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-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
4-ethyl-N-(2-methoxyphenyl)piperidine-2-carboxamide
CID 114427816
3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 114428301
4-ethyl-N-(2-propoxyphenyl)piperidine-2-carboxamide
CID 114428199

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide (CID 114429180) is 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2ccc(F)cn2)C1.
What is the InChIKey of 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide?
The InChIKey is QTYALNVLMRYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-9-5-6-15-11(7-9)13(18)17-12-4-3-10(14)8-16-12/h3-4,8-9,11,15H,2,5-7H2,1H3,(H,16,17,18).
What are the key properties of 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide?
4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 114429180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).