1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one

C18H25N5O2 — CID 87050172

IUPAC1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)CC(C)C)CC2)o1
InChIInChI=1S/C18H25N5O2/c1-4-15-20-21-18(25-15)14-6-5-7-19-17(14)23-10-8-22(9-11-23)16(24)12-13(2)3/h5-7,13H,4,8-12H2,1-3H3
InChIKeyHYAFKCPSIISKSC-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.39
Rot. Bonds5

About 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one

1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 87050172) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one
PubChem CID87050172
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)CC(C)C)CC2)o1
InChIInChI=1S/C18H25N5O2/c1-4-15-20-21-18(25-15)14-6-5-7-19-17(14)23-10-8-22(9-11-23)16(24)12-13(2)3/h5-7,13H,4,8-12H2,1-3H3
InChIKeyHYAFKCPSIISKSC-UHFFFAOYSA-N
XLogP2.39
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 53134096
N-(4-chloro-2-methylphenyl)-4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 53134103
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630
4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 87050197
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 53134037
(4-ethoxyphenyl)-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53134029
2-(3,4-difluorophenoxy)-1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 53134054
1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 53134222
3-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120872757
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 71843277
3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 25283703
1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 84586134

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one (CID 87050172) is 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one is CCc1nnc(-c2cccnc2N2CCN(C(=O)CC(C)C)CC2)o1.
What is the InChIKey of 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is HYAFKCPSIISKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-15-20-21-18(25-15)14-6-5-7-19-17(14)23-10-8-22(9-11-23)16(24)12-13(2)3/h5-7,13H,4,8-12H2,1-3H3.
What are the key properties of 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one?
1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 87050172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).