1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide

C20H29FN2O2 — CID 97195508

IUPAC1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H29FN2O2/c21-17-8-6-15(7-9-17)19(24)14-22-20(25)16-10-12-23(13-11-16)18-4-2-1-3-5-18/h6-9,16,18-19,24H,1-5,10-14H2,(H,22,25)/t19-/m0/s1
InChIKeyIFYJGIVRCYOWHT-IBGZPJMESA-N
MW348.46 g/mol
LogP3.02
Rot. Bonds5

About 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide

1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide (PubChem CID 97195508) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
PubChem CID97195508
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H29FN2O2/c21-17-8-6-15(7-9-17)19(24)14-22-20(25)16-10-12-23(13-11-16)18-4-2-1-3-5-18/h6-9,16,18-19,24H,1-5,10-14H2,(H,22,25)/t19-/m0/s1
InChIKeyIFYJGIVRCYOWHT-IBGZPJMESA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866844
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 111750687
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide
CID 124756832
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97416883
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylpiperidine-4-carboxamide
CID 32657544
3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97206238
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide (CID 97195508) is 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide is O=C(NC[C@H](O)c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The InChIKey is IFYJGIVRCYOWHT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-17-8-6-15(7-9-17)19(24)14-22-20(25)16-10-12-23(13-11-16)18-4-2-1-3-5-18/h6-9,16,18-19,24H,1-5,10-14H2,(H,22,25)/t19-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97195508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).