N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide

C18H25FN2O2 — CID 110218998

IUPACN-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2F)CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H25FN2O2/c1-14(22)20-18(16-6-2-3-7-17(16)19)8-10-21(11-9-18)13-15-5-4-12-23-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,20,22)
InChIKeyKTKDWOCDJRKASS-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.43
Rot. Bonds4

About N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide

N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 110218998) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
PubChem CID110218998
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2F)CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H25FN2O2/c1-14(22)20-18(16-6-2-3-7-17(16)19)8-10-21(11-9-18)13-15-5-4-12-23-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,20,22)
InChIKeyKTKDWOCDJRKASS-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide (CID 110218998) is N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2F)CCN(CC2CCCO2)CC1.
What is the InChIKey of N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is KTKDWOCDJRKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-14(22)20-18(16-6-2-3-7-17(16)19)8-10-21(11-9-18)13-15-5-4-12-23-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,20,22).
What are the key properties of N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 320.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 110218998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).