(2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone

C22H28FN5O — CID 109286501

IUPAC(2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C22H28FN5O/c1-2-17-7-5-6-10-28(17)22(29)19-15-25-21(16-24-19)27-13-11-26(12-14-27)20-9-4-3-8-18(20)23/h3-4,8-9,15-17H,2,5-7,10-14H2,1H3
InChIKeyAHSBCMMQLGROKS-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.35
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone

(2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone (PubChem CID 109286501) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone
PubChem CID109286501
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC Name(2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C22H28FN5O/c1-2-17-7-5-6-10-28(17)22(29)19-15-25-21(16-24-19)27-13-11-26(12-14-27)20-9-4-3-8-18(20)23/h3-4,8-9,15-17H,2,5-7,10-14H2,1H3
InChIKeyAHSBCMMQLGROKS-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylpiperidin-1-yl)-(5-morpholin-4-ylpyrazin-2-yl)methanone
CID 109276634
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109262091
(2-ethylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288501
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
[5-(2-chloroanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288522
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
CID 112957573
(5-chloropyrazin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 107257609
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone (CID 109286501) is (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone is CCC1CCCCN1C(=O)c1cnc(N2CCN(c3ccccc3F)CC2)cn1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone?
The InChIKey is AHSBCMMQLGROKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c1-2-17-7-5-6-10-28(17)22(29)19-15-25-21(16-24-19)27-13-11-26(12-14-27)20-9-4-3-8-18(20)23/h3-4,8-9,15-17H,2,5-7,10-14H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone?
(2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone has a molecular weight of 397.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone is sourced from PubChem (CID 109286501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).