(4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

C18H24N4O2 — CID 24791309

IUPAC(4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCc1nonc1C(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H24N4O2/c1-12(2)14-6-8-15(9-7-14)19-16-5-4-10-22(11-16)18(23)17-13(3)20-24-21-17/h6-9,12,16,19H,4-5,10-11H2,1-3H3
InChIKeySMBFJXLFNSYFMQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.22
Rot. Bonds4

About (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

(4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (PubChem CID 24791309) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
PubChem CID24791309
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCc1nonc1C(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H24N4O2/c1-12(2)14-6-8-15(9-7-14)19-16-5-4-10-22(11-16)18(23)17-13(3)20-24-21-17/h6-9,12,16,19H,4-5,10-11H2,1-3H3
InChIKeySMBFJXLFNSYFMQ-UHFFFAOYSA-N
XLogP3.22
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (CID 24791309) is (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is Cc1nonc1C(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The InChIKey is SMBFJXLFNSYFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)14-6-8-15(9-7-14)19-16-5-4-10-22(11-16)18(23)17-13(3)20-24-21-17/h6-9,12,16,19H,4-5,10-11H2,1-3H3.
What are the key properties of (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
(4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,5-oxadiazol-3-yl)-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24791309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).