(3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone

C20H28N4O2 — CID 47081263

IUPAC(3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NCc1nc(C(C)C)no1
InChIInChI=1S/C20H28N4O2/c1-13(2)19-22-18(26-23-19)11-21-17-8-7-16(10-15(17)4)20(25)24-9-5-6-14(3)12-24/h7-8,10,13-14,21H,5-6,9,11-12H2,1-4H3
InChIKeyAGFXPPMNXNDNMA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.99
Rot. Bonds5

About (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone

(3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone (PubChem CID 47081263) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
PubChem CID47081263
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NCc1nc(C(C)C)no1
InChIInChI=1S/C20H28N4O2/c1-13(2)19-22-18(26-23-19)11-21-17-8-7-16(10-15(17)4)20(25)24-9-5-6-14(3)12-24/h7-8,10,13-14,21H,5-6,9,11-12H2,1-4H3
InChIKeyAGFXPPMNXNDNMA-UHFFFAOYSA-N
XLogP3.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone (CID 47081263) is (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone is Cc1cc(C(=O)N2CCCC(C)C2)ccc1NCc1nc(C(C)C)no1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The InChIKey is AGFXPPMNXNDNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13(2)19-22-18(26-23-19)11-21-17-8-7-16(10-15(17)4)20(25)24-9-5-6-14(3)12-24/h7-8,10,13-14,21H,5-6,9,11-12H2,1-4H3.
What are the key properties of (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
(3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 47081263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).