(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide

C16H23FN2O2 — CID 103808185

IUPAC(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C16H23FN2O2/c1-3-19(16(20)14-6-4-5-9-18-14)11-12-7-8-15(21-2)13(17)10-12/h7-8,10,14,18H,3-6,9,11H2,1-2H3/t14-/m0/s1
InChIKeyOSPRAYWUAABNEH-AWEZNQCLSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds5

About (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide

(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide (PubChem CID 103808185) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
PubChem CID103808185
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C16H23FN2O2/c1-3-19(16(20)14-6-4-5-9-18-14)11-12-7-8-15(21-2)13(17)10-12/h7-8,10,14,18H,3-6,9,11H2,1-2H3/t14-/m0/s1
InChIKeyOSPRAYWUAABNEH-AWEZNQCLSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119312649
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60962824
(2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 154913325
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119705002
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119309836

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide (CID 103808185) is (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is OSPRAYWUAABNEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-19(16(20)14-6-4-5-9-18-14)11-12-7-8-15(21-2)13(17)10-12/h7-8,10,14,18H,3-6,9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide?
(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 103808185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).