(1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate

C21H24FN3O3 — CID 71465704

IUPAC(1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
SMILESCC(=O)N1CCC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1
InChIInChI=1S/C21H24FN3O3/c1-14(26)25-10-8-15(9-11-25)13-28-21(27)24-20-12-17(4-7-19(20)23)16-2-5-18(22)6-3-16/h2-7,12,15H,8-11,13,23H2,1H3,(H,24,27)
InChIKeyUZJNZUILCIOTKK-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.88
Rot. Bonds4

About (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate

(1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate (PubChem CID 71465704) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
PubChem CID71465704
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name(1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
SMILESCC(=O)N1CCC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1
InChIInChI=1S/C21H24FN3O3/c1-14(26)25-10-8-15(9-11-25)13-28-21(27)24-20-12-17(4-7-19(20)23)16-2-5-18(22)6-3-16/h2-7,12,15H,8-11,13,23H2,1H3,(H,24,27)
InChIKeyUZJNZUILCIOTKK-UHFFFAOYSA-N
XLogP3.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The IUPAC name of (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate (CID 71465704) is (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate.
What is the SMILES notation for (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The canonical SMILES for (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate is CC(=O)N1CCC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The InChIKey is UZJNZUILCIOTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-14(26)25-10-8-15(9-11-25)13-28-21(27)24-20-12-17(4-7-19(20)23)16-2-5-18(22)6-3-16/h2-7,12,15H,8-11,13,23H2,1H3,(H,24,27).
What are the key properties of (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
(1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate has a molecular weight of 385.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate is sourced from PubChem (CID 71465704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).