N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide

C19H27FN2O3 — CID 45205523

IUPACN-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(CO)(CC2CCCCO2)CC1
InChIInChI=1S/C19H27FN2O3/c20-15-4-6-16(7-5-15)21-18(24)22-10-8-19(14-23,9-11-22)13-17-3-1-2-12-25-17/h4-7,17,23H,1-3,8-14H2,(H,21,24)
InChIKeyYCAVWUYNOLLRRW-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.39
Rot. Bonds4

About N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide

N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 45205523) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID45205523
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(CO)(CC2CCCCO2)CC1
InChIInChI=1S/C19H27FN2O3/c20-15-4-6-16(7-5-15)21-18(24)22-10-8-19(14-23,9-11-22)13-17-3-1-2-12-25-17/h4-7,17,23H,1-3,8-14H2,(H,21,24)
InChIKeyYCAVWUYNOLLRRW-UHFFFAOYSA-N
XLogP3.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide (CID 45205523) is N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(CO)(CC2CCCCO2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is YCAVWUYNOLLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c20-15-4-6-16(7-5-15)21-18(24)22-10-8-19(14-23,9-11-22)13-17-3-1-2-12-25-17/h4-7,17,23H,1-3,8-14H2,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 45205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).