1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid

C9H16N2O2 — CID 59639391

IUPAC1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid
SMILESC/N=C(\C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H16N2O2/c1-7(10-2)11-5-3-8(4-6-11)9(12)13/h8H,3-6H2,1-2H3,(H,12,13)/b10-7+
InChIKeyUGGYULTXQADYSK-JXMROGBWSA-N
MW184.24 g/mol
LogP0.83
Rot. Bonds1

About 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid

1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid (PubChem CID 59639391) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid
PubChem CID59639391
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid
SMILESC/N=C(\C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H16N2O2/c1-7(10-2)11-5-3-8(4-6-11)9(12)13/h8H,3-6H2,1-2H3,(H,12,13)/b10-7+
InChIKeyUGGYULTXQADYSK-JXMROGBWSA-N
XLogP0.83
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
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

1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
piperidine-1,4-dicarboxylic acid
CID 18542445
1-(C,N-dimethylcarbonimidoyl)-N,N-dimethylpiperidin-4-amine
CID 143990258
1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]piperidine-4-carboxylic acid
CID 145198310
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 24698061
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
4-acetylpiperidine-1-carboxylic acid
CID 22135578
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 43570510

Frequently Asked Questions

What is the IUPAC name of 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid (CID 59639391) is 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid is C/N=C(\C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid?
The InChIKey is UGGYULTXQADYSK-JXMROGBWSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(10-2)11-5-3-8(4-6-11)9(12)13/h8H,3-6H2,1-2H3,(H,12,13)/b10-7+.
What are the key properties of 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid?
1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 59639391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).