N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide

C18H32N6O2 — CID 3534160

IUPACN,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide
SMILESCCCN1CCC(=NNC(=O)C(=O)NN=C2CCN(CCC)CC2)CC1
InChIInChI=1S/C18H32N6O2/c1-3-9-23-11-5-15(6-12-23)19-21-17(25)18(26)22-20-16-7-13-24(10-4-2)14-8-16/h3-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyJPMLQUJGBFXABY-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.94
Rot. Bonds6

About N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide

N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide (PubChem CID 3534160) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide
PubChem CID3534160
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC NameN,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide
SMILESCCCN1CCC(=NNC(=O)C(=O)NN=C2CCN(CCC)CC2)CC1
InChIInChI=1S/C18H32N6O2/c1-3-9-23-11-5-15(6-12-23)19-21-17(25)18(26)22-20-16-7-13-24(10-4-2)14-8-16/h3-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyJPMLQUJGBFXABY-UHFFFAOYSA-N
XLogP0.94
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide?
The IUPAC name of N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide (CID 3534160) is N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide.
What is the SMILES notation for N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide?
The canonical SMILES for N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide is CCCN1CCC(=NNC(=O)C(=O)NN=C2CCN(CCC)CC2)CC1.
What is the InChIKey of N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide?
The InChIKey is JPMLQUJGBFXABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-3-9-23-11-5-15(6-12-23)19-21-17(25)18(26)22-20-16-7-13-24(10-4-2)14-8-16/h3-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide?
N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide has a molecular weight of 364.49 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide is sourced from PubChem (CID 3534160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).