2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

C17H30N2O3 — CID 649490

IUPAC2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)C2CCCCC2C(=O)O)CC(C)(C)N1
InChIInChI=1S/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyQBTDSHSSSIGVRG-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.30
Rot. Bonds3

About 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 649490) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID649490
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)C2CCCCC2C(=O)O)CC(C)(C)N1
InChIInChI=1S/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyQBTDSHSSSIGVRG-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 649490) is 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is CC1(C)CC(NC(=O)C2CCCCC2C(=O)O)CC(C)(C)N1.
What is the InChIKey of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QBTDSHSSSIGVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 310.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 649490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).