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

C22H25N5O2 — CID 53134037

IUPAC1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one
SMILESCc1nnc(-c2cccnc2N2CCN(C(=O)CCCc3ccccc3)CC2)o1
InChIInChI=1S/C22H25N5O2/c1-17-24-25-22(29-17)19-10-6-12-23-21(19)27-15-13-26(14-16-27)20(28)11-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,12H,5,9,11,13-16H2,1H3
InChIKeyNUCZPJKGKCMXOB-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.11
Rot. Bonds6

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

1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one (PubChem CID 53134037) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one
PubChem CID53134037
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one
SMILESCc1nnc(-c2cccnc2N2CCN(C(=O)CCCc3ccccc3)CC2)o1
InChIInChI=1S/C22H25N5O2/c1-17-24-25-22(29-17)19-10-6-12-23-21(19)27-15-13-26(14-16-27)20(28)11-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,12H,5,9,11,13-16H2,1H3
InChIKeyNUCZPJKGKCMXOB-UHFFFAOYSA-N
XLogP3.11
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one (CID 53134037) is 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one is Cc1nnc(-c2cccnc2N2CCN(C(=O)CCCc3ccccc3)CC2)o1.
What is the InChIKey of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one?
The InChIKey is NUCZPJKGKCMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-17-24-25-22(29-17)19-10-6-12-23-21(19)27-15-13-26(14-16-27)20(28)11-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,12H,5,9,11,13-16H2,1H3.
What are the key properties of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one?
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one has a molecular weight of 391.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 53134037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).