N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide

C22H25FN2O3 — CID 45202327

IUPACN-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCc3cccc(F)c3)CCC2=O)cc1
InChIInChI=1S/C22H25FN2O3/c1-28-20-8-5-16(6-9-20)11-12-25-15-18(7-10-21(25)26)22(27)24-14-17-3-2-4-19(23)13-17/h2-6,8-9,13,18H,7,10-12,14-15H2,1H3,(H,24,27)
InChIKeyJQNYPWXCVBQEHP-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.93
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45202327) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID45202327
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCc3cccc(F)c3)CCC2=O)cc1
InChIInChI=1S/C22H25FN2O3/c1-28-20-8-5-16(6-9-20)11-12-25-15-18(7-10-21(25)26)22(27)24-14-17-3-2-4-19(23)13-17/h2-6,8-9,13,18H,7,10-12,14-15H2,1H3,(H,24,27)
InChIKeyJQNYPWXCVBQEHP-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 45202327) is N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)NCc3cccc(F)c3)CCC2=O)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JQNYPWXCVBQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-28-20-8-5-16(6-9-20)11-12-25-15-18(7-10-21(25)26)22(27)24-14-17-3-2-4-19(23)13-17/h2-6,8-9,13,18H,7,10-12,14-15H2,1H3,(H,24,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45202327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).