(2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

C16H17F2N3O — CID 125140662

IUPAC(2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(F)c1F
InChIInChI=1S/C16H17F2N3O/c1-20-13(8-9-19-20)14-7-2-3-10-21(14)16(22)11-5-4-6-12(17)15(11)18/h4-6,8-9,14H,2-3,7,10H2,1H3/t14-/m0/s1
InChIKeyBZMFDRICPTWUSS-AWEZNQCLSA-N
MW305.33 g/mol
LogP3.07
Rot. Bonds2

About (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

(2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 125140662) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID125140662
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(F)c1F
InChIInChI=1S/C16H17F2N3O/c1-20-13(8-9-19-20)14-7-2-3-10-21(14)16(22)11-5-4-6-12(17)15(11)18/h4-6,8-9,14H,2-3,7,10H2,1H3/t14-/m0/s1
InChIKeyBZMFDRICPTWUSS-AWEZNQCLSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 125140662) is (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BZMFDRICPTWUSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-20-13(8-9-19-20)14-7-2-3-10-21(14)16(22)11-5-4-6-12(17)15(11)18/h4-6,8-9,14H,2-3,7,10H2,1H3/t14-/m0/s1.
What are the key properties of (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
(2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 305.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125140662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).