N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C22H25FN2O3 — CID 24790094

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cc(F)ccc2C)CCC1=O
InChIInChI=1S/C22H25FN2O3/c1-15-7-9-19(23)11-18(15)12-24-22(27)17-8-10-21(26)25(14-17)13-16-5-3-4-6-20(16)28-2/h3-7,9,11,17H,8,10,12-14H2,1-2H3,(H,24,27)
InChIKeyPTQVYKIDKZTYAV-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.20
Rot. Bonds6

About N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790094) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790094
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cc(F)ccc2C)CCC1=O
InChIInChI=1S/C22H25FN2O3/c1-15-7-9-19(23)11-18(15)12-24-22(27)17-8-10-21(26)25(14-17)13-16-5-3-4-6-20(16)28-2/h3-7,9,11,17H,8,10,12-14H2,1-2H3,(H,24,27)
InChIKeyPTQVYKIDKZTYAV-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790094) is N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCc2cc(F)ccc2C)CCC1=O.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PTQVYKIDKZTYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15-7-9-19(23)11-18(15)12-24-22(27)17-8-10-21(26)25(14-17)13-16-5-3-4-6-20(16)28-2/h3-7,9,11,17H,8,10,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).