1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one

C17H21FN4O2 — CID 126795807

IUPAC1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one
SMILESCOCCn1cc(NC2CCCN(c3ccccc3F)C2=O)cn1
InChIInChI=1S/C17H21FN4O2/c1-24-10-9-21-12-13(11-19-21)20-15-6-4-8-22(17(15)23)16-7-3-2-5-14(16)18/h2-3,5,7,11-12,15,20H,4,6,8-10H2,1H3
InChIKeyZSPRVLMSKWFQIP-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.28
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one

1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one (PubChem CID 126795807) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one
PubChem CID126795807
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one
SMILESCOCCn1cc(NC2CCCN(c3ccccc3F)C2=O)cn1
InChIInChI=1S/C17H21FN4O2/c1-24-10-9-21-12-13(11-19-21)20-15-6-4-8-22(17(15)23)16-7-3-2-5-14(16)18/h2-3,5,7,11-12,15,20H,4,6,8-10H2,1H3
InChIKeyZSPRVLMSKWFQIP-UHFFFAOYSA-N
XLogP2.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one (CID 126795807) is 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one is COCCn1cc(NC2CCCN(c3ccccc3F)C2=O)cn1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one?
The InChIKey is ZSPRVLMSKWFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-24-10-9-21-12-13(11-19-21)20-15-6-4-8-22(17(15)23)16-7-3-2-5-14(16)18/h2-3,5,7,11-12,15,20H,4,6,8-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one?
1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one has a molecular weight of 332.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 126795807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).