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

C14H24N2O3 — CID 63783132

IUPAC3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN1CCCC(NC(=O)C2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-16-7-3-6-12(9-16)15-13(17)10-4-2-5-11(8-10)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyGRIODBGSRGAAKS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds3

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

3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783132) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783132
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN1CCCC(NC(=O)C2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-16-7-3-6-12(9-16)15-13(17)10-4-2-5-11(8-10)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyGRIODBGSRGAAKS-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63783132) is 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is CN1CCCC(NC(=O)C2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GRIODBGSRGAAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16-7-3-6-12(9-16)15-13(17)10-4-2-5-11(8-10)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).