[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C19H20FN3O3 — CID 87002326

IUPAC[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H20FN3O3/c1-2-26-17-8-5-15(13-21-17)19(25)23-11-9-22(10-12-23)18(24)14-3-6-16(20)7-4-14/h3-8,13H,2,9-12H2,1H3
InChIKeyCSDRPOLXKQLSFD-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.22
Rot. Bonds4

About [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 87002326) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID87002326
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H20FN3O3/c1-2-26-17-8-5-15(13-21-17)19(25)23-11-9-22(10-12-23)18(24)14-3-6-16(20)7-4-14/h3-8,13H,2,9-12H2,1H3
InChIKeyCSDRPOLXKQLSFD-UHFFFAOYSA-N
XLogP2.22
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-ethoxy-3-pyridinyl)-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99876631
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55508084
(6-ethoxy-3-pyridinyl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343885
6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 47047914
(3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 55879030
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(6-ethoxy-3-pyridinyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626676
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
4-(4-fluorobenzoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 112829411
(6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344873
2-[4-(6-ethoxypyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248952

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 87002326) is [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone is CCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is CSDRPOLXKQLSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-2-26-17-8-5-15(13-21-17)19(25)23-11-9-22(10-12-23)18(24)14-3-6-16(20)7-4-14/h3-8,13H,2,9-12H2,1H3.
What are the key properties of [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 357.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 87002326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).