N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide

C16H22F2N2O2 — CID 119059677

IUPACN-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCC1CCCCN1C(=O)NCc1cccc(F)c1F
InChIInChI=1S/C16H22F2N2O2/c1-22-10-8-13-6-2-3-9-20(13)16(21)19-11-12-5-4-7-14(17)15(12)18/h4-5,7,13H,2-3,6,8-11H2,1H3,(H,19,21)
InChIKeyNHNPRQOSFYACOR-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.07
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide

N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 119059677) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID119059677
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCC1CCCCN1C(=O)NCc1cccc(F)c1F
InChIInChI=1S/C16H22F2N2O2/c1-22-10-8-13-6-2-3-9-20(13)16(21)19-11-12-5-4-7-14(17)15(12)18/h4-5,7,13H,2-3,6,8-11H2,1H3,(H,19,21)
InChIKeyNHNPRQOSFYACOR-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 126440633
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 126441822
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 97444960
2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 51108813
(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 125140406
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea
CID 126423894
1-[2-(bromomethyl)azepan-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 116639495

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide (CID 119059677) is N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide is COCCC1CCCCN1C(=O)NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is NHNPRQOSFYACOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-22-10-8-13-6-2-3-9-20(13)16(21)19-11-12-5-4-7-14(17)15(12)18/h4-5,7,13H,2-3,6,8-11H2,1H3,(H,19,21).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119059677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).