methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate

C18H25FN2O3 — CID 11952279

IUPACmethyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
SMILESCOC(=O)N(c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H25FN2O3/c1-23-18(22)21(16-4-2-14(19)3-5-16)17-6-10-20(11-7-17)15-8-12-24-13-9-15/h2-5,15,17H,6-13H2,1H3
InChIKeyHAJPGCOENIWTHA-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.04
Rot. Bonds3

About methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate

methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate (PubChem CID 11952279) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
PubChem CID11952279
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Namemethyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
SMILESCOC(=O)N(c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H25FN2O3/c1-23-18(22)21(16-4-2-14(19)3-5-16)17-6-10-20(11-7-17)15-8-12-24-13-9-15/h2-5,15,17H,6-13H2,1H3
InChIKeyHAJPGCOENIWTHA-UHFFFAOYSA-N
XLogP3.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate (CID 11952279) is methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate is COC(=O)N(c1ccc(F)cc1)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate?
The InChIKey is HAJPGCOENIWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-23-18(22)21(16-4-2-14(19)3-5-16)17-6-10-20(11-7-17)15-8-12-24-13-9-15/h2-5,15,17H,6-13H2,1H3.
What are the key properties of methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate?
methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate has a molecular weight of 336.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 11952279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).