N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

C22H25FN2O2 — CID 24819258

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(F)cc1CNC(=O)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H25FN2O2/c1-16-7-9-20(23)13-19(16)14-24-22(27)18-8-10-21(26)25(15-18)12-11-17-5-3-2-4-6-17/h2-7,9,13,18H,8,10-12,14-15H2,1H3,(H,24,27)
InChIKeyLKDOIBMNSRLIOB-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.23
Rot. Bonds6

About N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 24819258) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID24819258
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(F)cc1CNC(=O)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H25FN2O2/c1-16-7-9-20(23)13-19(16)14-24-22(27)18-8-10-21(26)25(15-18)12-11-17-5-3-2-4-6-17/h2-7,9,13,18H,8,10-12,14-15H2,1H3,(H,24,27)
InChIKeyLKDOIBMNSRLIOB-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (CID 24819258) is N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is Cc1ccc(F)cc1CNC(=O)C1CCC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is LKDOIBMNSRLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-7-9-20(23)13-19(16)14-24-22(27)18-8-10-21(26)25(15-18)12-11-17-5-3-2-4-6-17/h2-7,9,13,18H,8,10-12,14-15H2,1H3,(H,24,27).
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24819258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).