[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone

C20H26N4O2 — CID 47081264

IUPAC[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NCc1nc(C2CC2)no1
InChIInChI=1S/C20H26N4O2/c1-13-4-3-9-24(12-13)20(25)16-7-8-17(14(2)10-16)21-11-18-22-19(23-26-18)15-5-6-15/h7-8,10,13,15,21H,3-6,9,11-12H2,1-2H3
InChIKeyINOZCMYTCOUUHJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.74
Rot. Bonds5

About [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone

[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 47081264) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID47081264
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NCc1nc(C2CC2)no1
InChIInChI=1S/C20H26N4O2/c1-13-4-3-9-24(12-13)20(25)16-7-8-17(14(2)10-16)21-11-18-22-19(23-26-18)15-5-6-15/h7-8,10,13,15,21H,3-6,9,11-12H2,1-2H3
InChIKeyINOZCMYTCOUUHJ-UHFFFAOYSA-N
XLogP3.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone (CID 47081264) is [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(C)C2)ccc1NCc1nc(C2CC2)no1.
What is the InChIKey of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is INOZCMYTCOUUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-4-3-9-24(12-13)20(25)16-7-8-17(14(2)10-16)21-11-18-22-19(23-26-18)15-5-6-15/h7-8,10,13,15,21H,3-6,9,11-12H2,1-2H3.
What are the key properties of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 47081264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).