N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide

C10H20N4O — CID 102736501

IUPACN-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
SMILESC/N=C(\N)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C10H20N4O/c1-8(15)13-7-9-3-5-14(6-4-9)10(11)12-2/h9H,3-7H2,1-2H3,(H2,11,12)(H,13,15)
InChIKeyJKZWDEWOYHTFOA-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.22
Rot. Bonds2

About N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736501) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736501
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
SMILESC/N=C(\N)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C10H20N4O/c1-8(15)13-7-9-3-5-14(6-4-9)10(11)12-2/h9H,3-7H2,1-2H3,(H2,11,12)(H,13,15)
InChIKeyJKZWDEWOYHTFOA-UHFFFAOYSA-N
XLogP-0.22
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide (CID 102736501) is N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide is C/N=C(\N)N1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is JKZWDEWOYHTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(15)13-7-9-3-5-14(6-4-9)10(11)12-2/h9H,3-7H2,1-2H3,(H2,11,12)(H,13,15).
What are the key properties of N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 212.30 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).