1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone

C21H30N6O2 — CID 133321152

IUPAC1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(c3ncccc3-c3nc(C)no3)CC2)CC1
InChIInChI=1S/C21H30N6O2/c1-3-25-11-13-26(14-12-25)19(28)15-17-6-9-27(10-7-17)20-18(5-4-8-22-20)21-23-16(2)24-29-21/h4-5,8,17H,3,6-7,9-15H2,1-2H3
InChIKeyNIIQQJPDOJYWBH-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone (PubChem CID 133321152) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
PubChem CID133321152
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(c3ncccc3-c3nc(C)no3)CC2)CC1
InChIInChI=1S/C21H30N6O2/c1-3-25-11-13-26(14-12-25)19(28)15-17-6-9-27(10-7-17)20-18(5-4-8-22-20)21-23-16(2)24-29-21/h4-5,8,17H,3,6-7,9-15H2,1-2H3
InChIKeyNIIQQJPDOJYWBH-UHFFFAOYSA-N
XLogP2.21
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 133328444
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
(2R)-1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 133486181
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
3-methyl-5-[2-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133317102
N-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 97042284
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
CID 71794649
2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 133321141
(4-methoxyphenyl)-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182130
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133319012

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone (CID 133321152) is 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone is CCN1CCN(C(=O)CC2CCN(c3ncccc3-c3nc(C)no3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone?
The InChIKey is NIIQQJPDOJYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-3-25-11-13-26(14-12-25)19(28)15-17-6-9-27(10-7-17)20-18(5-4-8-22-20)21-23-16(2)24-29-21/h4-5,8,17H,3,6-7,9-15H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone has a molecular weight of 398.51 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 133321152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).