2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide

C12H20N4O — CID 110930318

IUPAC2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)C/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C12H20N4O/c1-3-6-14-11(17)9-15-12(13)16-7-4-10(2)5-8-16/h1,10H,4-9H2,2H3,(H2,13,15)(H,14,17)
InChIKeyRWVHNBNHQRCKGN-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.22
Rot. Bonds3

About 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide

2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide (PubChem CID 110930318) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide
PubChem CID110930318
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)C/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C12H20N4O/c1-3-6-14-11(17)9-15-12(13)16-7-4-10(2)5-8-16/h1,10H,4-9H2,2H3,(H2,13,15)(H,14,17)
InChIKeyRWVHNBNHQRCKGN-UHFFFAOYSA-N
XLogP-0.22
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.22
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide
CID 120967432
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110919320
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
CID 120973942
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752258
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930365
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752257
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464973
but-3-ynyl 4-methylpiperidine-1-carboxylate
CID 89002890
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492
3-methyl-N-prop-2-ynylpyrrolidine-1-carbothioamide
CID 130659116

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide (CID 110930318) is 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide is C#CCNC(=O)C/N=C(\N)N1CCC(C)CC1.
What is the InChIKey of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide?
The InChIKey is RWVHNBNHQRCKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-6-14-11(17)9-15-12(13)16-7-4-10(2)5-8-16/h1,10H,4-9H2,2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide?
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide has a molecular weight of 236.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 110930318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).