(3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide

C8H16N4O — CID 58846514

IUPAC(3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC[C@H](NC)C1=O
InChIInChI=1S/C8H16N4O/c1-10-6-4-3-5-12(7(6)13)8(9)11-2/h6,10H,3-5H2,1-2H3,(H2,9,11)/t6-/m0/s1
InChIKeyJCLFUPKXDNBWAB-LURJTMIESA-N
MW184.24 g/mol
LogP-0.86
Rot. Bonds1

About (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide

(3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide (PubChem CID 58846514) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide
PubChem CID58846514
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC[C@H](NC)C1=O
InChIInChI=1S/C8H16N4O/c1-10-6-4-3-5-12(7(6)13)8(9)11-2/h6,10H,3-5H2,1-2H3,(H2,9,11)/t6-/m0/s1
InChIKeyJCLFUPKXDNBWAB-LURJTMIESA-N
XLogP-0.86
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide?
The IUPAC name of (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide (CID 58846514) is (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide.
What is the SMILES notation for (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide?
The canonical SMILES for (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide is C/N=C(\N)N1CCC[C@H](NC)C1=O.
What is the InChIKey of (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide?
The InChIKey is JCLFUPKXDNBWAB-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N4O/c1-10-6-4-3-5-12(7(6)13)8(9)11-2/h6,10H,3-5H2,1-2H3,(H2,9,11)/t6-/m0/s1.
What are the key properties of (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide?
(3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide has a molecular weight of 184.24 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide is sourced from PubChem (CID 58846514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).