2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid

C17H29NO3 — CID 62303078

IUPAC2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid
SMILESCCCC1CCC(N2C(=O)CC(C)C(C(=O)O)C2C)CC1
InChIInChI=1S/C17H29NO3/c1-4-5-13-6-8-14(9-7-13)18-12(3)16(17(20)21)11(2)10-15(18)19/h11-14,16H,4-10H2,1-3H3,(H,20,21)
InChIKeyXDQVVCFWEGJBNP-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.30
Rot. Bonds4

About 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid (PubChem CID 62303078) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid
PubChem CID62303078
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid
SMILESCCCC1CCC(N2C(=O)CC(C)C(C(=O)O)C2C)CC1
InChIInChI=1S/C17H29NO3/c1-4-5-13-6-8-14(9-7-13)18-12(3)16(17(20)21)11(2)10-15(18)19/h11-14,16H,4-10H2,1-3H3,(H,20,21)
InChIKeyXDQVVCFWEGJBNP-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid (CID 62303078) is 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid is CCCC1CCC(N2C(=O)CC(C)C(C(=O)O)C2C)CC1.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid?
The InChIKey is XDQVVCFWEGJBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-5-13-6-8-14(9-7-13)18-12(3)16(17(20)21)11(2)10-15(18)19/h11-14,16H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62303078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).