2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

C9H14N4O — CID 4267431

IUPAC2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CC#N)CC1
InChIInChI=1S/C9H14N4O/c1-13-6-3-8(4-7-13)11-12-9(14)2-5-10/h2-4,6-7H2,1H3,(H,12,14)
InChIKeyIKMOIJQWFDSMBZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.10
Rot. Bonds2

About 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 4267431) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID4267431
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCN1CCC(=NNC(=O)CC#N)CC1
InChIInChI=1S/C9H14N4O/c1-13-6-3-8(4-7-13)11-12-9(14)2-5-10/h2-4,6-7H2,1H3,(H,12,14)
InChIKeyIKMOIJQWFDSMBZ-UHFFFAOYSA-N
XLogP0.10
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.10
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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Related Compounds

N-(1-Methylpiperidin-4-ylidene)acetohydrazide
CID 76045
2-cyano-N'-[(4Z)-1,2,5-trimethylpiperidin-4-ylidene]acetohydrazide
CID 6512528
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
CID 3293640
N-[(1-methylpiperidin-4-ylidene)amino]hexanamide
CID 3318531
N-[(1-propylpiperidin-4-ylidene)amino]hexanamide
CID 3357624
2-cyano-N-[(1,2,5-trimethylpiperidin-4-ylidene)amino]acetamide
CID 3363201
N-[(1-propylpiperidin-4-ylidene)amino]acetamide
CID 3405278
N-[(1-methylpiperidin-4-ylidene)amino]pentanamide
CID 3566197
N-[(1-propylpiperidin-4-ylidene)amino]pentanamide
CID 3711119
N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
CID 4072192
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
CID 4126519
N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
CID 4161809

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 4267431) is 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is CN1CCC(=NNC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is IKMOIJQWFDSMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-6-3-8(4-7-13)11-12-9(14)2-5-10/h2-4,6-7H2,1H3,(H,12,14).
What are the key properties of 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 194.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 4267431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).