3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide

C16H22FN3O2 — CID 90650048

IUPAC3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCC1CCCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C16H22FN3O2/c1-19(2)15(21)6-5-12-4-3-9-20(11-12)16(22)13-7-8-18-10-14(13)17/h7-8,10,12H,3-6,9,11H2,1-2H3
InChIKeyWIEQCPZGUGEHNP-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.94
Rot. Bonds4

About 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide

3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide (PubChem CID 90650048) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
PubChem CID90650048
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCC1CCCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C16H22FN3O2/c1-19(2)15(21)6-5-12-4-3-9-20(11-12)16(22)13-7-8-18-10-14(13)17/h7-8,10,12H,3-6,9,11H2,1-2H3
InChIKeyWIEQCPZGUGEHNP-UHFFFAOYSA-N
XLogP1.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114801323
4-[[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]methyl]benzoic acid
CID 56911987
[3-(chloromethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64956102
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
(3S)-1-(3-fluoropyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97215987
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide (CID 90650048) is 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCC1CCCN(C(=O)c2ccncc2F)C1.
What is the InChIKey of 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is WIEQCPZGUGEHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-19(2)15(21)6-5-12-4-3-9-20(11-12)16(22)13-7-8-18-10-14(13)17/h7-8,10,12H,3-6,9,11H2,1-2H3.
What are the key properties of 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide?
3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 307.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 90650048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).