N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide

C14H18FN3O2 — CID 61294389

IUPACN-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccnc(F)c2)CC1
InChIInChI=1S/C14H18FN3O2/c1-2-16-13(19)10-4-7-18(8-5-10)14(20)11-3-6-17-12(15)9-11/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,16,19)
InChIKeyOXBSEMZJJWFOSJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.21
Rot. Bonds3

About N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide

N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 61294389) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
PubChem CID61294389
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccnc(F)c2)CC1
InChIInChI=1S/C14H18FN3O2/c1-2-16-13(19)10-4-7-18(8-5-10)14(20)11-3-6-17-12(15)9-11/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,16,19)
InChIKeyOXBSEMZJJWFOSJ-UHFFFAOYSA-N
XLogP1.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
1-(2-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61292738
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
(2-fluoro-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 61295127
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 115598986
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide
CID 125178146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide (CID 61294389) is N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2ccnc(F)c2)CC1.
What is the InChIKey of N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is OXBSEMZJJWFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-2-16-13(19)10-4-7-18(8-5-10)14(20)11-3-6-17-12(15)9-11/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide?
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 61294389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).