[1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone

About [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone

[1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone (PubChem CID 143382673) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name	[1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone
PubChem CID	143382673
Molecular Formula	C24H32N6O3
Molecular Weight	452.56 g/mol
Exact Mass	452.25
IUPAC Name	[1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone
SMILES	N/C=C\C(=C/N)CN1CCC(C(=O)N2CCC(Oc3ccccc3-c3ncon3)CC2)CC1
InChI	InChI=1S/C24H32N6O3/c25-10-5-18(15-26)16-29-11-6-19(7-12-29)24(31)30-13-8-20(9-14-30)33-22-4-2-1-3-21(22)23-27-17-32-28-23/h1-5,10,15,17,19-20H,6-9,11-14,16,25-26H2/b10-5-,18-15+
InChIKey	QIZFYNQDWVSLCR-JJDRHRIQSA-N
XLogP	2.13
TPSA	123.74 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'polyene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone?

The IUPAC name of [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone (CID 143382673) is [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone.

What is the SMILES notation for [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone?

The canonical SMILES for [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone is N/C=C\C(=C/N)CN1CCC(C(=O)N2CCC(Oc3ccccc3-c3ncon3)CC2)CC1.

What is the InChIKey of [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone?

The InChIKey is QIZFYNQDWVSLCR-JJDRHRIQSA-N. The full InChI is InChI=1S/C24H32N6O3/c25-10-5-18(15-26)16-29-11-6-19(7-12-29)24(31)30-13-8-20(9-14-30)33-22-4-2-1-3-21(22)23-27-17-32-28-23/h1-5,10,15,17,19-20H,6-9,11-14,16,25-26H2/b10-5-,18-15+.

What are the key properties of [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone?

[1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 452.56 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]piperidin-4-yl]-[4-[2-(1,2,4-oxadiazol-3-yl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 143382673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).