1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide

C21H30N2O3 — CID 24818924

IUPAC1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H30N2O3/c24-20-13-12-17(16-23(20)18-8-4-1-2-5-9-18)21(25)22-14-15-26-19-10-6-3-7-11-19/h3,6-7,10-11,17-18H,1-2,4-5,8-9,12-16H2,(H,22,25)
InChIKeyBTMVAPPGFMKLLD-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.14
Rot. Bonds6

About 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide

1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (PubChem CID 24818924) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
PubChem CID24818924
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H30N2O3/c24-20-13-12-17(16-23(20)18-8-4-1-2-5-9-18)21(25)22-14-15-26-19-10-6-3-7-11-19/h3,6-7,10-11,17-18H,1-2,4-5,8-9,12-16H2,(H,22,25)
InChIKeyBTMVAPPGFMKLLD-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
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-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (CID 24818924) is 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is O=C(NCCOc1ccccc1)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The InChIKey is BTMVAPPGFMKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-20-13-12-17(16-23(20)18-8-4-1-2-5-9-18)21(25)22-14-15-26-19-10-6-3-7-11-19/h3,6-7,10-11,17-18H,1-2,4-5,8-9,12-16H2,(H,22,25).
What are the key properties of 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24818924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).