N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C21H28FN3O3 — CID 23723795

IUPACN-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C21H28FN3O3/c22-18-6-2-1-5-16(18)10-11-23-21(28)17-8-9-20(27)25(15-17)14-4-13-24-12-3-7-19(24)26/h1-2,5-6,17H,3-4,7-15H2,(H,23,28)
InChIKeyJPMNBTQZGHEXQD-UHFFFAOYSA-N
MW389.47 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 23723795) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID23723795
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C21H28FN3O3/c22-18-6-2-1-5-16(18)10-11-23-21(28)17-8-9-20(27)25(15-17)14-4-13-24-12-3-7-19(24)26/h1-2,5-6,17H,3-4,7-15H2,(H,23,28)
InChIKeyJPMNBTQZGHEXQD-UHFFFAOYSA-N
XLogP1.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 23723795) is N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is O=C(NCCc1ccccc1F)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is JPMNBTQZGHEXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c22-18-6-2-1-5-16(18)10-11-23-21(28)17-8-9-20(27)25(15-17)14-4-13-24-12-3-7-19(24)26/h1-2,5-6,17H,3-4,7-15H2,(H,23,28).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 23723795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).