1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide

C19H25FN2O3 — CID 24792943

IUPAC1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCN(C(=O)C1CCC(=O)N(Cc2ccccc2F)C1)C1CCOCC1
InChIInChI=1S/C19H25FN2O3/c1-21(16-8-10-25-11-9-16)19(24)15-6-7-18(23)22(13-15)12-14-4-2-3-5-17(14)20/h2-5,15-16H,6-13H2,1H3
InChIKeyHJMOEZANISGMDQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.20
Rot. Bonds4

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

1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 24792943) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID24792943
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCN(C(=O)C1CCC(=O)N(Cc2ccccc2F)C1)C1CCOCC1
InChIInChI=1S/C19H25FN2O3/c1-21(16-8-10-25-11-9-16)19(24)15-6-7-18(23)22(13-15)12-14-4-2-3-5-17(14)20/h2-5,15-16H,6-13H2,1H3
InChIKeyHJMOEZANISGMDQ-UHFFFAOYSA-N
XLogP2.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide (CID 24792943) is 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide is CN(C(=O)C1CCC(=O)N(Cc2ccccc2F)C1)C1CCOCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is HJMOEZANISGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-21(16-8-10-25-11-9-16)19(24)15-6-7-18(23)22(13-15)12-14-4-2-3-5-17(14)20/h2-5,15-16H,6-13H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24792943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).