2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine

C10H20N4O — CID 47091794

IUPAC2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
SMILESC/N=C(\N)NCCC(=O)N1CCCCC1
InChIInChI=1S/C10H20N4O/c1-12-10(11)13-6-5-9(15)14-7-3-2-4-8-14/h2-8H2,1H3,(H3,11,12,13)
InChIKeyWVVKVZHUCRDQIQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.08
Rot. Bonds3

About 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine

2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine (PubChem CID 47091794) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
PubChem CID47091794
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
SMILESC/N=C(\N)NCCC(=O)N1CCCCC1
InChIInChI=1S/C10H20N4O/c1-12-10(11)13-6-5-9(15)14-7-3-2-4-8-14/h2-8H2,1H3,(H3,11,12,13)
InChIKeyWVVKVZHUCRDQIQ-UHFFFAOYSA-N
XLogP-0.08
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.08
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

2-[(1-acetylpiperidin-4-yl)methyl]-1-[(2S)-butan-2-yl]guanidine
CID 95339254
2-Methyl-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472434
2-Methyl-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472435
1-Ethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473018
1-Ethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109473019
2-Methyl-1-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474901
2-[3-[4-(Methylamino)piperidin-1-yl]-3-oxopropyl]guanidine
CID 20641635
1-(Diaminomethylidene)-3-(3-piperidin-1-ylpropyl)urea
CID 21414712
N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide
CID 23590357
6-[(N'-methylcarbamimidoyl)amino]-N-(1-methylpiperidin-4-yl)hexanamide
CID 89591186
N-[N'-(2-methylpropyl)carbamimidoyl]-N-(piperidin-4-ylmethyl)acetamide
CID 89983979
N'-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358403

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine (CID 47091794) is 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine is C/N=C(\N)NCCC(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The InChIKey is WVVKVZHUCRDQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-12-10(11)13-6-5-9(15)14-7-3-2-4-8-14/h2-8H2,1H3,(H3,11,12,13).
What are the key properties of 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine has a molecular weight of 212.30 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 47091794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).