2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone

C24H29FN4O3 — CID 92621742

IUPAC2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCN1CCN(C(=O)c2ccc(C3CCN(C(=O)COc4ccccc4F)CC3)nc2)CC1
InChIInChI=1S/C24H29FN4O3/c1-27-12-14-29(15-13-27)24(31)19-6-7-21(26-16-19)18-8-10-28(11-9-18)23(30)17-32-22-5-3-2-4-20(22)25/h2-7,16,18H,8-15,17H2,1H3
InChIKeyJTRFZBCSIKHNIA-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.39
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 92621742) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID92621742
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCN1CCN(C(=O)c2ccc(C3CCN(C(=O)COc4ccccc4F)CC3)nc2)CC1
InChIInChI=1S/C24H29FN4O3/c1-27-12-14-29(15-13-27)24(31)19-6-7-21(26-16-19)18-8-10-28(11-9-18)23(30)17-32-22-5-3-2-4-20(22)25/h2-7,16,18H,8-15,17H2,1H3
InChIKeyJTRFZBCSIKHNIA-UHFFFAOYSA-N
XLogP2.39
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
3-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 107689861
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 8867044
2-(2-fluorophenoxy)-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55746844
3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621815
1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 30860487
(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone
CID 24771472
5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110804418
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 61400060
3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621749

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 92621742) is 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone is CN1CCN(C(=O)c2ccc(C3CCN(C(=O)COc4ccccc4F)CC3)nc2)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is JTRFZBCSIKHNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-27-12-14-29(15-13-27)24(31)19-6-7-21(26-16-19)18-8-10-28(11-9-18)23(30)17-32-22-5-3-2-4-20(22)25/h2-7,16,18H,8-15,17H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 440.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92621742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).