(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone

C14H15FN2O — CID 121184189

IUPAC(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCC(=C2CC2)CC1
InChIInChI=1S/C14H15FN2O/c15-13-9-16-6-3-12(13)14(18)17-7-4-11(5-8-17)10-1-2-10/h3,6,9H,1-2,4-5,7-8H2
InChIKeySLYMVDZVIIEVOP-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.55
Rot. Bonds1

About (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone

(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 121184189) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID121184189
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCC(=C2CC2)CC1
InChIInChI=1S/C14H15FN2O/c15-13-9-16-6-3-12(13)14(18)17-7-4-11(5-8-17)10-1-2-10/h3,6,9H,1-2,4-5,7-8H2
InChIKeySLYMVDZVIIEVOP-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 64950480
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(3-fluoro-4-pyridinyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 115772156
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
(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
1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 115646355
(3-fluoro-4-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 64949904
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226
2-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]ethanethioamide
CID 64948717

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone (CID 121184189) is (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1CCC(=C2CC2)CC1.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is SLYMVDZVIIEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-13-9-16-6-3-12(13)14(18)17-7-4-11(5-8-17)10-1-2-10/h3,6,9H,1-2,4-5,7-8H2.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 246.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 121184189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).