[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C19H24FN3O2 — CID 53150656

IUPAC[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C19H24FN3O2/c1-22-18(5-9-21-22)19(24)23-10-6-15(7-11-23)8-12-25-14-16-3-2-4-17(20)13-16/h2-5,9,13,15H,6-8,10-12,14H2,1H3
InChIKeyCYVJFMINAKHZQV-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.02
Rot. Bonds6

About [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 53150656) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID53150656
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C19H24FN3O2/c1-22-18(5-9-21-22)19(24)23-10-6-15(7-11-23)8-12-25-14-16-3-2-4-17(20)13-16/h2-5,9,13,15H,6-8,10-12,14H2,1H3
InChIKeyCYVJFMINAKHZQV-UHFFFAOYSA-N
XLogP3.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 53150656) is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is CYVJFMINAKHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-22-18(5-9-21-22)19(24)23-10-6-15(7-11-23)8-12-25-14-16-3-2-4-17(20)13-16/h2-5,9,13,15H,6-8,10-12,14H2,1H3.
What are the key properties of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 53150656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).