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

C17H23FN2O3 — CID 42213070

IUPAC(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCc2cc(F)ccc2C)CCC1=O
InChIInChI=1S/C17H23FN2O3/c1-12-3-5-15(18)9-14(12)10-19-17(22)13-4-6-16(21)20(11-13)7-8-23-2/h3,5,9,13H,4,6-8,10-11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyKJSQUHJMWCQJII-ZDUSSCGKSA-N
MW322.38 g/mol
LogP1.64
Rot. Bonds6

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

(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 42213070) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID42213070
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCc2cc(F)ccc2C)CCC1=O
InChIInChI=1S/C17H23FN2O3/c1-12-3-5-15(18)9-14(12)10-19-17(22)13-4-6-16(21)20(11-13)7-8-23-2/h3,5,9,13H,4,6-8,10-11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyKJSQUHJMWCQJII-ZDUSSCGKSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624
1-(2-methoxyethyl)-6-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 56700684
(3R)-1-(2-methoxyethyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 25277248
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45222675
(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720
methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
CID 102569899
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 42564642
(3S)-1-(2-methoxyethyl)-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 25456602
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42454269
(3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 25293036
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45248237

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (CID 42213070) is (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is COCCN1C[C@@H](C(=O)NCc2cc(F)ccc2C)CCC1=O.
What is the InChIKey of (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KJSQUHJMWCQJII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12-3-5-15(18)9-14(12)10-19-17(22)13-4-6-16(21)20(11-13)7-8-23-2/h3,5,9,13H,4,6-8,10-11H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42213070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).