N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide

C19H27FN2O3 — CID 74249222

IUPACN-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C19H27FN2O3/c20-16-3-1-14(2-4-16)18(13-23)21-19(24)15-5-9-22(10-6-15)17-7-11-25-12-8-17/h1-4,15,17-18,23H,5-13H2,(H,21,24)
InChIKeyXIPWLQQGORCPMV-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.87
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide

N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 74249222) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID74249222
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C19H27FN2O3/c20-16-3-1-14(2-4-16)18(13-23)21-19(24)15-5-9-22(10-6-15)17-7-11-25-12-8-17/h1-4,15,17-18,23H,5-13H2,(H,21,24)
InChIKeyXIPWLQQGORCPMV-UHFFFAOYSA-N
XLogP1.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide (CID 74249222) is N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide is O=C(NC(CO)c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is XIPWLQQGORCPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c20-16-3-1-14(2-4-16)18(13-23)21-19(24)15-5-9-22(10-6-15)17-7-11-25-12-8-17/h1-4,15,17-18,23H,5-13H2,(H,21,24).
What are the key properties of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide?
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 74249222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).