(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone

C12H16FN3O — CID 113265528

IUPAC(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cncc(F)c2)C1
InChIInChI=1S/C12H16FN3O/c1-14-11-3-2-4-16(8-11)12(17)9-5-10(13)7-15-6-9/h5-7,11,14H,2-4,8H2,1H3
InChIKeyWKJRDPYYWBYKQN-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.04
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone

(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 113265528) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID113265528
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cncc(F)c2)C1
InChIInChI=1S/C12H16FN3O/c1-14-11-3-2-4-16(8-11)12(17)9-5-10(13)7-15-6-9/h5-7,11,14H,2-4,8H2,1H3
InChIKeyWKJRDPYYWBYKQN-UHFFFAOYSA-N
XLogP1.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
(5-fluoro-3-pyridinyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649427
(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124517167
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62536372
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818395

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 113265528) is (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cncc(F)c2)C1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is WKJRDPYYWBYKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-14-11-3-2-4-16(8-11)12(17)9-5-10(13)7-15-6-9/h5-7,11,14H,2-4,8H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone?
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 237.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 113265528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).