N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide

C20H23FN2O2 — CID 100642402

IUPACN-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCNCC1)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C20H23FN2O2/c1-14(23-20(24)15-9-11-22-12-10-15)16-7-8-19(18(21)13-16)25-17-5-3-2-4-6-17/h2-8,13-15,22H,9-12H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyRFOXQPREYPJCHC-AWEZNQCLSA-N
MW342.41 g/mol
LogP3.79
Rot. Bonds5

About N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide

N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 100642402) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID100642402
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCNCC1)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C20H23FN2O2/c1-14(23-20(24)15-9-11-22-12-10-15)16-7-8-19(18(21)13-16)25-17-5-3-2-4-6-17/h2-8,13-15,22H,9-12H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyRFOXQPREYPJCHC-AWEZNQCLSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975148
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292625
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119729498
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119729502
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide (CID 100642402) is N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCNCC1)c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is RFOXQPREYPJCHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(23-20(24)15-9-11-22-12-10-15)16-7-8-19(18(21)13-16)25-17-5-3-2-4-6-17/h2-8,13-15,22H,9-12H2,1H3,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide?
N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 100642402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).