1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide

C8H16N4O2 — CID 76944384

IUPAC1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(N)=NO
InChIInChI=1S/C8H16N4O2/c1-10-7(13)6-4-2-3-5-12(6)8(9)11-14/h6,14H,2-5H2,1H3,(H2,9,11)(H,10,13)
InChIKeyQWNILRWPNLFWTL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.71
Rot. Bonds1

About 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide (PubChem CID 76944384) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
PubChem CID76944384
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(N)=NO
InChIInChI=1S/C8H16N4O2/c1-10-7(13)6-4-2-3-5-12(6)8(9)11-14/h6,14H,2-5H2,1H3,(H2,9,11)(H,10,13)
InChIKeyQWNILRWPNLFWTL-UHFFFAOYSA-N
XLogP-0.71
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-2-carboxamide
CID 76925120
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
1-(2-aminocyclopentanecarbonyl)-N-methylpiperidine-2-carboxamide
CID 64824181
N-methyl-1-(4-methylpiperidine-1-carbonyl)piperidine-2-carboxamide
CID 116654881
1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 79805407
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
1-(4-amino-1-methylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 65359724

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide (CID 76944384) is 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(N)=NO.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is QWNILRWPNLFWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-10-7(13)6-4-2-3-5-12(6)8(9)11-14/h6,14H,2-5H2,1H3,(H2,9,11)(H,10,13).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 76944384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).