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

C20H24FN3O2 — CID 71465768

IUPAC(1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
SMILESCN1CCC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1
InChIInChI=1S/C20H24FN3O2/c1-24-10-8-14(9-11-24)13-26-20(25)23-19-12-16(4-7-18(19)22)15-2-5-17(21)6-3-15/h2-7,12,14H,8-11,13,22H2,1H3,(H,23,25)
InChIKeyKLHVZNRUJLCSEJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.97
Rot. Bonds4

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

(1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate (PubChem CID 71465768) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
PubChem CID71465768
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
SMILESCN1CCC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1
InChIInChI=1S/C20H24FN3O2/c1-24-10-8-14(9-11-24)13-26-20(25)23-19-12-16(4-7-18(19)22)15-2-5-17(21)6-3-15/h2-7,12,14H,8-11,13,22H2,1H3,(H,23,25)
InChIKeyKLHVZNRUJLCSEJ-UHFFFAOYSA-N
XLogP3.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.97
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-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate (CID 71465768) is (1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate is CN1CCC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The InChIKey is KLHVZNRUJLCSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-24-10-8-14(9-11-24)13-26-20(25)23-19-12-16(4-7-18(19)22)15-2-5-17(21)6-3-15/h2-7,12,14H,8-11,13,22H2,1H3,(H,23,25).
What are the key properties of (1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
(1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate has a molecular weight of 357.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate is sourced from PubChem (CID 71465768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).