N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

C21H25FN2O2 — CID 43919730

IUPACN-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C21H25FN2O2/c1-2-26-20-12-6-5-11-19(20)23-21(25)17-9-7-13-24(15-17)14-16-8-3-4-10-18(16)22/h3-6,8,10-12,17H,2,7,9,13-15H2,1H3,(H,23,25)
InChIKeyMACXHWWBEXRGOF-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.08
Rot. Bonds6

About N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43919730) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43919730
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C21H25FN2O2/c1-2-26-20-12-6-5-11-19(20)23-21(25)17-9-7-13-24(15-17)14-16-8-3-4-10-18(16)22/h3-6,8,10-12,17H,2,7,9,13-15H2,1H3,(H,23,25)
InChIKeyMACXHWWBEXRGOF-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
1-[(2-fluorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 43924798
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923972
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43919730) is N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is CCOc1ccccc1NC(=O)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is MACXHWWBEXRGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-26-20-12-6-5-11-19(20)23-21(25)17-9-7-13-24(15-17)14-16-8-3-4-10-18(16)22/h3-6,8,10-12,17H,2,7,9,13-15H2,1H3,(H,23,25).
What are the key properties of N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43919730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).