1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone

C18H25FN2O3 — CID 97332544

IUPAC1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1
InChIInChI=1S/C18H25FN2O3/c1-13(22)21-8-6-15(7-9-21)20-17-11-14(19)4-5-18(17)24-12-16-3-2-10-23-16/h4-5,11,15-16,20H,2-3,6-10,12H2,1H3/t16-/m0/s1
InChIKeyJFKQFSXPWHWXRR-INIZCTEOSA-N
MW336.41 g/mol
LogP2.81
Rot. Bonds5

About 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone

1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone (PubChem CID 97332544) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
PubChem CID97332544
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1
InChIInChI=1S/C18H25FN2O3/c1-13(22)21-8-6-15(7-9-21)20-17-11-14(19)4-5-18(17)24-12-16-3-2-10-23-16/h4-5,11,15-16,20H,2-3,6-10,12H2,1H3/t16-/m0/s1
InChIKeyJFKQFSXPWHWXRR-INIZCTEOSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
1-[4-[[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 167901145
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
(2R)-2-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]anilino]-N-(methylcarbamoyl)propanamide
CID 95323022
1-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079701
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
3-[[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]methyl]benzoic acid
CID 122029822
5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119125471
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 56783387
(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide
CID 95616239

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone (CID 97332544) is 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1.
What is the InChIKey of 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone?
The InChIKey is JFKQFSXPWHWXRR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-13(22)21-8-6-15(7-9-21)20-17-11-14(19)4-5-18(17)24-12-16-3-2-10-23-16/h4-5,11,15-16,20H,2-3,6-10,12H2,1H3/t16-/m0/s1.
What are the key properties of 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone?
1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone has a molecular weight of 336.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 97332544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).