1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C16H23FN2O2 — CID 25249290

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-21-11-8-18-16(20)13-6-9-19(10-7-13)12-14-4-2-3-5-15(14)17/h2-5,13H,6-12H2,1H3,(H,18,20)
InChIKeyQAJYCTMMISTOAV-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.80
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 25249290) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID25249290
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-21-11-8-18-16(20)13-6-9-19(10-7-13)12-14-4-2-3-5-15(14)17/h2-5,13H,6-12H2,1H3,(H,18,20)
InChIKeyQAJYCTMMISTOAV-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 30137372
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 99826884
1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56744997
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
(3R)-1-[1-[(2-ethylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95218762
N-(2-methoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 33083256
(3S)-1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188586
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707011

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 25249290) is 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is QAJYCTMMISTOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-11-8-18-16(20)13-6-9-19(10-7-13)12-14-4-2-3-5-15(14)17/h2-5,13H,6-12H2,1H3,(H,18,20).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 25249290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).