[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone

C19H17FN2O — CID 53384866

IUPAC[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CCCCC1
InChIInChI=1S/C19H17FN2O/c20-17-6-4-5-15(13-17)7-8-16-9-10-18(21-14-16)19(23)22-11-2-1-3-12-22/h4-6,9-10,13-14H,1-3,11-12H2
InChIKeyNPPKVTYGVATYGJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.25
Rot. Bonds1

About [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone

[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 53384866) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID53384866
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CCCCC1
InChIInChI=1S/C19H17FN2O/c20-17-6-4-5-15(13-17)7-8-16-9-10-18(21-14-16)19(23)22-11-2-1-3-12-22/h4-6,9-10,13-14H,1-3,11-12H2
InChIKeyNPPKVTYGVATYGJ-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone
CID 70789102
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
CID 53384850
methyl 5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxylate
CID 90103011
5-[2-(3-fluorophenyl)ethynyl]-N,N-dimethylpyridine-2-carboxamide
CID 70789088
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride
CID 53384878
5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 72711046
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 70789081
[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]-(4-fluoropiperidin-1-yl)methanone
CID 51354791
azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
CID 109218603

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone (CID 53384866) is [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(C#Cc2cccc(F)c2)cn1)N1CCCCC1.
What is the InChIKey of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is NPPKVTYGVATYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-6-4-5-15(13-17)7-8-16-9-10-18(21-14-16)19(23)22-11-2-1-3-12-22/h4-6,9-10,13-14H,1-3,11-12H2.
What are the key properties of [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone?
[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 308.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53384866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).