2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide

C11H18N4O — CID 6512528

IUPAC2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide
SMILESCC1CN(C)C(C)C/C1=N/NC(=O)CC#N
InChIInChI=1S/C11H18N4O/c1-8-7-15(3)9(2)6-10(8)13-14-11(16)4-5-12/h8-9H,4,6-7H2,1-3H3,(H,14,16)/b13-10-
InChIKeyBVTYFBFFNMPTEC-RAXLEYEMSA-N
MW222.29 g/mol
LogP0.73
Rot. Bonds2

About 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide

2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide (PubChem CID 6512528) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide
PubChem CID6512528
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide
SMILESCC1CN(C)C(C)C/C1=N/NC(=O)CC#N
InChIInChI=1S/C11H18N4O/c1-8-7-15(3)9(2)6-10(8)13-14-11(16)4-5-12/h8-9H,4,6-7H2,1-3H3,(H,14,16)/b13-10-
InChIKeyBVTYFBFFNMPTEC-RAXLEYEMSA-N
XLogP0.73
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide (CID 6512528) is 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide is CC1CN(C)C(C)C/C1=N/NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is BVTYFBFFNMPTEC-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-7-15(3)9(2)6-10(8)13-14-11(16)4-5-12/h8-9H,4,6-7H2,1-3H3,(H,14,16)/b13-10-.
What are the key properties of 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide?
2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(Z)-(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 6512528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).