2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

C19H25FN4O — CID 50959282

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCN(C)C(C(=O)N1CCC(Cn2cccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-22(2)18(16-4-6-17(20)7-5-16)19(25)23-12-8-15(9-13-23)14-24-11-3-10-21-24/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3
InChIKeyMQKOJXNAJKOFME-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.56
Rot. Bonds5

About 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 50959282) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID50959282
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCN(C)C(C(=O)N1CCC(Cn2cccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-22(2)18(16-4-6-17(20)7-5-16)19(25)23-12-8-15(9-13-23)14-24-11-3-10-21-24/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3
InChIKeyMQKOJXNAJKOFME-UHFFFAOYSA-N
XLogP2.56
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 50959282) is 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is CN(C)C(C(=O)N1CCC(Cn2cccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is MQKOJXNAJKOFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-22(2)18(16-4-6-17(20)7-5-16)19(25)23-12-8-15(9-13-23)14-24-11-3-10-21-24/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 344.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 50959282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).