N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide

C10H18N4O2 — CID 3641310

IUPACN'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide
SMILESCC(C)N1CCC(=NNC(=O)C(N)=O)CC1
InChIInChI=1S/C10H18N4O2/c1-7(2)14-5-3-8(4-6-14)12-13-10(16)9(11)15/h7H,3-6H2,1-2H3,(H2,11,15)(H,13,16)
InChIKeyJBDOBGFZIPDSLD-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.55
Rot. Bonds2

About N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide

N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide (PubChem CID 3641310) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide
PubChem CID3641310
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide
SMILESCC(C)N1CCC(=NNC(=O)C(N)=O)CC1
InChIInChI=1S/C10H18N4O2/c1-7(2)14-5-3-8(4-6-14)12-13-10(16)9(11)15/h7H,3-6H2,1-2H3,(H2,11,15)(H,13,16)
InChIKeyJBDOBGFZIPDSLD-UHFFFAOYSA-N
XLogP-0.55
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide?
The IUPAC name of N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide (CID 3641310) is N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide.
What is the SMILES notation for N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide?
The canonical SMILES for N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide is CC(C)N1CCC(=NNC(=O)C(N)=O)CC1.
What is the InChIKey of N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide?
The InChIKey is JBDOBGFZIPDSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)14-5-3-8(4-6-14)12-13-10(16)9(11)15/h7H,3-6H2,1-2H3,(H2,11,15)(H,13,16).
What are the key properties of N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide?
N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide has a molecular weight of 226.28 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide is sourced from PubChem (CID 3641310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).