N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C17H21FN2O2 — CID 24791464

IUPACN-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NC1CCC1)C1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H21FN2O2/c18-14-4-1-3-12(9-14)10-20-11-13(7-8-16(20)21)17(22)19-15-5-2-6-15/h1,3-4,9,13,15H,2,5-8,10-11H2,(H,19,22)
InChIKeyNAURGMCWDLFYRF-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.23
Rot. Bonds4

About N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791464) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791464
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC NameN-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NC1CCC1)C1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C17H21FN2O2/c18-14-4-1-3-12(9-14)10-20-11-13(7-8-16(20)21)17(22)19-15-5-2-6-15/h1,3-4,9,13,15H,2,5-8,10-11H2,(H,19,22)
InChIKeyNAURGMCWDLFYRF-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791464) is N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NC1CCC1)C1CCC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is NAURGMCWDLFYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-14-4-1-3-12(9-14)10-20-11-13(7-8-16(20)21)17(22)19-15-5-2-6-15/h1,3-4,9,13,15H,2,5-8,10-11H2,(H,19,22).
What are the key properties of N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 304.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).