N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide

C21H25FN2O2 — CID 27107038

IUPACN-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C21H25FN2O2/c22-19-8-4-5-9-20(19)26-15-14-24-12-10-18(11-13-24)21(25)23-16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyKKDQJGZIYAUVST-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.23
Rot. Bonds7

About N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide

N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 27107038) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID27107038
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C21H25FN2O2/c22-19-8-4-5-9-20(19)26-15-14-24-12-10-18(11-13-24)21(25)23-16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeyKKDQJGZIYAUVST-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046317
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
CID 113224746
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904523
N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 55838287
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413041
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 78963291
N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
CID 47070110
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide (CID 27107038) is N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(CCOc2ccccc2F)CC1.
What is the InChIKey of N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is KKDQJGZIYAUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-8-4-5-9-20(19)26-15-14-24-12-10-18(11-13-24)21(25)23-16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25).
What are the key properties of N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 27107038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).