tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane

C20H31FN2O3 — CID 143303337

IUPACtert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
SMILESCC.CC(=O)N(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25FN2O3.C2H6/c1-13(22)21(15-7-5-14(19)6-8-15)16-9-11-20(12-10-16)17(23)24-18(2,3)4;1-2/h5-8,16H,9-12H2,1-4H3;1-2H3
InChIKeyBJNWWZJSLQOTMZ-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.60
Rot. Bonds2

About tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane

tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane (PubChem CID 143303337) has the molecular formula C20H31FN2O3 and a molecular weight of 366.48 g/mol. Its IUPAC name is tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
PubChem CID143303337
Molecular FormulaC20H31FN2O3
Molecular Weight366.48 g/mol
Exact Mass366.23
IUPAC Nametert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
SMILESCC.CC(=O)N(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25FN2O3.C2H6/c1-13(22)21(15-7-5-14(19)6-8-15)16-9-11-20(12-10-16)17(23)24-18(2,3)4;1-2/h5-8,16H,9-12H2,1-4H3;1-2H3
InChIKeyBJNWWZJSLQOTMZ-UHFFFAOYSA-N
XLogP4.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane 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

3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 146197469
tert-butyl 4-[(S)-(4-fluorophenyl)-hydroxy-phenylmethyl]piperidine-1-carboxylate
CID 155162953
tert-butyl 4-[N-[(3-chlorophenyl)methyl]-4-fluoroanilino]piperidine-1-carboxylate
CID 10341997
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222
tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 95503611
tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
tert-butyl 4-(2-fluoro-N-(2-phenylsulfanylacetyl)anilino)piperidine-1-carboxylate
CID 71873909
2,2-dimethylpropyl 3-[4-(N-acetyl-4-fluoroanilino)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11951745
tert-butyl 4-[4-(4-fluorophenyl)-3-oxobutanoyl]piperidine-1-carboxylate
CID 69448029

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane (CID 143303337) is tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane is CC.CC(=O)N(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane?
The InChIKey is BJNWWZJSLQOTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3.C2H6/c1-13(22)21(15-7-5-14(19)6-8-15)16-9-11-20(12-10-16)17(23)24-18(2,3)4;1-2/h5-8,16H,9-12H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane?
tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane has a molecular weight of 366.48 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 143303337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).