(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone

C18H20FN3O — CID 46032886

IUPAC(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C18H20FN3O/c1-2-21-6-8-22(9-7-21)18(23)16-10-15(12-20-13-16)14-4-3-5-17(19)11-14/h3-5,10-13H,2,6-9H2,1H3
InChIKeyJCAIYQSTZHSRBA-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.67
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone (PubChem CID 46032886) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone
PubChem CID46032886
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C18H20FN3O/c1-2-21-6-8-22(9-7-21)18(23)16-10-15(12-20-13-16)14-4-3-5-17(19)11-14/h3-5,10-13H,2,6-9H2,1H3
InChIKeyJCAIYQSTZHSRBA-UHFFFAOYSA-N
XLogP2.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 42845831
[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230538
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
5-(4-ethylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109104543
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
CID 71920561
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958152
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone (CID 46032886) is (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone is CCN1CCN(C(=O)c2cncc(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone?
The InChIKey is JCAIYQSTZHSRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-2-21-6-8-22(9-7-21)18(23)16-10-15(12-20-13-16)14-4-3-5-17(19)11-14/h3-5,10-13H,2,6-9H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone has a molecular weight of 313.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 46032886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).