1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide

C21H29FN2O3 — CID 24817415

IUPAC1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H29FN2O3/c22-18-7-9-19(10-8-18)27-13-12-23-21(26)17-6-11-20(25)24(15-17)14-16-4-2-1-3-5-16/h7-10,16-17H,1-6,11-15H2,(H,23,26)
InChIKeyXTQWXBZMWQFCDC-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.14
Rot. Bonds7

About 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817415) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817415
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H29FN2O3/c22-18-7-9-19(10-8-18)27-13-12-23-21(26)17-6-11-20(25)24(15-17)14-16-4-2-1-3-5-16/h7-10,16-17H,1-6,11-15H2,(H,23,26)
InChIKeyXTQWXBZMWQFCDC-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide (CID 24817415) is 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide is O=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XTQWXBZMWQFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c22-18-7-9-19(10-8-18)27-13-12-23-21(26)17-6-11-20(25)24(15-17)14-16-4-2-1-3-5-16/h7-10,16-17H,1-6,11-15H2,(H,23,26).
What are the key properties of 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).