1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

C21H29FN2O2 — CID 24792968

IUPAC1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H29FN2O2/c22-18-7-5-6-16(14-18)12-13-23-21(26)17-10-11-20(25)24(15-17)19-8-3-1-2-4-9-19/h5-7,14,17,19H,1-4,8-13,15H2,(H,23,26)
InChIKeyCTEIAJHTIVZGOS-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.45
Rot. Bonds5

About 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24792968) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24792968
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H29FN2O2/c22-18-7-5-6-16(14-18)12-13-23-21(26)17-10-11-20(25)24(15-17)19-8-3-1-2-4-9-19/h5-7,14,17,19H,1-4,8-13,15H2,(H,23,26)
InChIKeyCTEIAJHTIVZGOS-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24792968) is 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is O=C(NCCc1cccc(F)c1)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is CTEIAJHTIVZGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-18-7-5-6-16(14-18)12-13-23-21(26)17-10-11-20(25)24(15-17)19-8-3-1-2-4-9-19/h5-7,14,17,19H,1-4,8-13,15H2,(H,23,26).
What are the key properties of 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24792968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).