N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C21H30FN3O2 — CID 72859707

IUPACN-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCN(CCN1CCCC1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C21H30FN3O2/c1-2-24(14-13-23-11-5-6-12-23)21(27)18-9-10-20(26)25(16-18)15-17-7-3-4-8-19(17)22/h3-4,7-8,18H,2,5-6,9-16H2,1H3
InChIKeyOFSKQYHRECARTC-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.51
Rot. Bonds7

About N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 72859707) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID72859707
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCCN(CCN1CCCC1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C21H30FN3O2/c1-2-24(14-13-23-11-5-6-12-23)21(27)18-9-10-20(26)25(16-18)15-17-7-3-4-8-19(17)22/h3-4,7-8,18H,2,5-6,9-16H2,1H3
InChIKeyOFSKQYHRECARTC-UHFFFAOYSA-N
XLogP2.51
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 72859707) is N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is CCN(CCN1CCCC1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is OFSKQYHRECARTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-2-24(14-13-23-11-5-6-12-23)21(27)18-9-10-20(26)25(16-18)15-17-7-3-4-8-19(17)22/h3-4,7-8,18H,2,5-6,9-16H2,1H3.
What are the key properties of N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72859707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).