cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate

C21H30N2O3 — CID 174682899

IUPACcyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate
SMILESCN1CCC(Cc2ccc(C(N)=O)cc2)(C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C21H30N2O3/c1-23-13-11-21(12-14-23,20(25)26-18-5-3-2-4-6-18)15-16-7-9-17(10-8-16)19(22)24/h7-10,18H,2-6,11-15H2,1H3,(H2,22,24)
InChIKeyZUUWKDREYWCTKA-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.92
Rot. Bonds5

About cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate

cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate (PubChem CID 174682899) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate
PubChem CID174682899
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namecyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate
SMILESCN1CCC(Cc2ccc(C(N)=O)cc2)(C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C21H30N2O3/c1-23-13-11-21(12-14-23,20(25)26-18-5-3-2-4-6-18)15-16-7-9-17(10-8-16)19(22)24/h7-10,18H,2-6,11-15H2,1H3,(H2,22,24)
InChIKeyZUUWKDREYWCTKA-UHFFFAOYSA-N
XLogP2.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate?
The IUPAC name of cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate (CID 174682899) is cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate?
The canonical SMILES for cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate is CN1CCC(Cc2ccc(C(N)=O)cc2)(C(=O)OC2CCCCC2)CC1.
What is the InChIKey of cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate?
The InChIKey is ZUUWKDREYWCTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-23-13-11-21(12-14-23,20(25)26-18-5-3-2-4-6-18)15-16-7-9-17(10-8-16)19(22)24/h7-10,18H,2-6,11-15H2,1H3,(H2,22,24).
What are the key properties of cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate?
cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 174682899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).