[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone

C20H25FN4O — CID 110411350

IUPAC[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O/c1-23(2)19-17(7-5-10-22-19)20(26)25-14-12-24(13-15-25)11-9-16-6-3-4-8-18(16)21/h3-8,10H,9,11-15H2,1-2H3
InChIKeyNBPSMPIVUJPFJV-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.29
Rot. Bonds5

About [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone

[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 110411350) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID110411350
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O/c1-23(2)19-17(7-5-10-22-19)20(26)25-14-12-24(13-15-25)11-9-16-6-3-4-8-18(16)21/h3-8,10H,9,11-15H2,1-2H3
InChIKeyNBPSMPIVUJPFJV-UHFFFAOYSA-N
XLogP2.29
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone (CID 110411350) is [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone is CN(C)c1ncccc1C(=O)N1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is NBPSMPIVUJPFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-23(2)19-17(7-5-10-22-19)20(26)25-14-12-24(13-15-25)11-9-16-6-3-4-8-18(16)21/h3-8,10H,9,11-15H2,1-2H3.
What are the key properties of [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone?
[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110411350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).