N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide

C18H27FN2O2 — CID 111114077

IUPACN-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
SMILESCC(O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H27FN2O2/c1-13(21-9-7-16(8-10-21)14(2)22)18(23)20(3)12-15-5-4-6-17(19)11-15/h4-6,11,13-14,16,22H,7-10,12H2,1-3H3
InChIKeyNASPMMCZLWDFSK-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.27
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide

N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide (PubChem CID 111114077) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
PubChem CID111114077
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
SMILESCC(O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H27FN2O2/c1-13(21-9-7-16(8-10-21)14(2)22)18(23)20(3)12-15-5-4-6-17(19)11-15/h4-6,11,13-14,16,22H,7-10,12H2,1-3H3
InChIKeyNASPMMCZLWDFSK-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide (CID 111114077) is N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide is CC(O)C1CCN(C(C)C(=O)N(C)Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide?
The InChIKey is NASPMMCZLWDFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-13(21-9-7-16(8-10-21)14(2)22)18(23)20(3)12-15-5-4-6-17(19)11-15/h4-6,11,13-14,16,22H,7-10,12H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide?
N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide has a molecular weight of 322.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 111114077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).