3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C15H27N3O3 — CID 63042287

IUPAC3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN1CCC(N(C)C(=O)NC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-17-8-6-13(7-9-17)18(2)15(21)16-12-5-3-4-11(10-12)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyHVDATEPITQBCSV-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds3

About 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63042287) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63042287
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN1CCC(N(C)C(=O)NC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-17-8-6-13(7-9-17)18(2)15(21)16-12-5-3-4-11(10-12)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyHVDATEPITQBCSV-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043737
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
3-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044100
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63043931
3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042641
1-cyclopropyl-1-methyl-3-(3-methylcyclobutyl)urea
CID 130718605
3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030447
3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63043691
2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
2-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815725

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 63042287) is 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CN1CCC(N(C)C(=O)NC2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HVDATEPITQBCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17-8-6-13(7-9-17)18(2)15(21)16-12-5-3-4-11(10-12)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).