N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide

C13H26N4O — CID 75421284

IUPACN-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)N1CCCCC1
InChIInChI=1S/C13H26N4O/c1-13(2,3)16-11(18)10-15-12(14-4)17-8-6-5-7-9-17/h5-10H2,1-4H3,(H,14,15)(H,16,18)
InChIKeyONYJJVXCXVXCDP-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.96
Rot. Bonds2

About N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide

N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide (PubChem CID 75421284) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
PubChem CID75421284
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)N1CCCCC1
InChIInChI=1S/C13H26N4O/c1-13(2,3)16-11(18)10-15-12(14-4)17-8-6-5-7-9-17/h5-10H2,1-4H3,(H,14,15)(H,16,18)
InChIKeyONYJJVXCXVXCDP-UHFFFAOYSA-N
XLogP0.96
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451887
1-tert-butyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119116133
N-tert-butyl-2-[[C-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111238432
N-tert-butyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109446844
2-[[C-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-propan-2-ylacetamide
CID 119134014
N-[3-(tert-butylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 115609267
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
N-tert-butyl-2-[[N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]carbamimidoyl]amino]acetamide
CID 111384659

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide (CID 75421284) is N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide is C/N=C(\NCC(=O)NC(C)(C)C)N1CCCCC1.
What is the InChIKey of N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide?
The InChIKey is ONYJJVXCXVXCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-13(2,3)16-11(18)10-15-12(14-4)17-8-6-5-7-9-17/h5-10H2,1-4H3,(H,14,15)(H,16,18).
What are the key properties of N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide?
N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide has a molecular weight of 254.38 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide is sourced from PubChem (CID 75421284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).