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

C18H20FN3O — CID 155954977

IUPAC(3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCc1cccnc1C(=O)N1CCNC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O/c1-2-13-4-3-9-21-17(13)18(23)22-11-10-20-16(12-22)14-5-7-15(19)8-6-14/h3-9,16,20H,2,10-12H2,1H3
InChIKeyHZDUTQGNHXQLJC-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.57
Rot. Bonds3

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

(3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 155954977) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID155954977
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCc1cccnc1C(=O)N1CCNC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O/c1-2-13-4-3-9-21-17(13)18(23)22-11-10-20-16(12-22)14-5-7-15(19)8-6-14/h3-9,16,20H,2,10-12H2,1H3
InChIKeyHZDUTQGNHXQLJC-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 137429583
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
[3-(4-ethylphenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 119051627
[(3S)-3-methylpiperazin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 124591094
tert-butyl (3S)-3-(4-fluorophenyl)piperazine-1-carboxylate
CID 68747024
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
piperazin-1-yl-[3-(sulfanylmethyl)-2-pyridinyl]methanone
CID 82510958
[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 95218664
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
(3-ethyl-2-pyridinyl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
CID 123432752
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104861
methyl 4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carbonyl)piperazin-2-yl]benzoate
CID 166315873

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone (CID 155954977) is (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone is CCc1cccnc1C(=O)N1CCNC(c2ccc(F)cc2)C1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is HZDUTQGNHXQLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-2-13-4-3-9-21-17(13)18(23)22-11-10-20-16(12-22)14-5-7-15(19)8-6-14/h3-9,16,20H,2,10-12H2,1H3.
What are the key properties of (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone?
(3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 313.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 155954977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).