1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid

C8H15N3O2 — CID 123572540

IUPAC1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
SMILES[H]/N=C(\N)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C8H15N3O2/c1-8(6(12)13)2-4-11(5-3-8)7(9)10/h2-5H2,1H3,(H3,9,10)(H,12,13)
InChIKeySEDASOPWEPKGKM-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.07
Rot. Bonds1

About 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid

1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid (PubChem CID 123572540) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
PubChem CID123572540
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
SMILES[H]/N=C(\N)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C8H15N3O2/c1-8(6(12)13)2-4-11(5-3-8)7(9)10/h2-5H2,1H3,(H3,9,10)(H,12,13)
InChIKeySEDASOPWEPKGKM-UHFFFAOYSA-N
XLogP0.07
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
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

4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124592
4-oxopiperidine-1-carboximidamide
CID 19089226
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 83114282
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
CID 66718761
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124044

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid (CID 123572540) is 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid is [H]/N=C(\N)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid?
The InChIKey is SEDASOPWEPKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(6(12)13)2-4-11(5-3-8)7(9)10/h2-5H2,1H3,(H3,9,10)(H,12,13).
What are the key properties of 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid?
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid has a molecular weight of 185.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 123572540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).