1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

C14H18FN3O2 — CID 115646226

IUPAC1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C14H18FN3O2/c1-17(2)13(19)10-4-7-18(8-5-10)14(20)11-3-6-16-9-12(11)15/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyYLCAKXXMZZHQJQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.16
Rot. Bonds2

About 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 115646226) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID115646226
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C14H18FN3O2/c1-17(2)13(19)10-4-7-18(8-5-10)14(20)11-3-6-16-9-12(11)15/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyYLCAKXXMZZHQJQ-UHFFFAOYSA-N
XLogP1.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154920114
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97215987
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646200

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (CID 115646226) is 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2ccncc2F)CC1.
What is the InChIKey of 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is YLCAKXXMZZHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-17(2)13(19)10-4-7-18(8-5-10)14(20)11-3-6-16-9-12(11)15/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 115646226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).