(1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

C19H23N3O3S — CID 71465705

IUPAC(1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESCC(=O)N1CCC(COC(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C19H23N3O3S/c1-13(23)22-8-6-14(7-9-22)12-25-19(24)21-17-11-15(4-5-16(17)20)18-3-2-10-26-18/h2-5,10-11,14H,6-9,12,20H2,1H3,(H,21,24)
InChIKeyUQQSXEHJILZUKP-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.80
Rot. Bonds4

About (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

(1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 71465705) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID71465705
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESCC(=O)N1CCC(COC(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C19H23N3O3S/c1-13(23)22-8-6-14(7-9-22)12-25-19(24)21-17-11-15(4-5-16(17)20)18-3-2-10-26-18/h2-5,10-11,14H,6-9,12,20H2,1H3,(H,21,24)
InChIKeyUQQSXEHJILZUKP-UHFFFAOYSA-N
XLogP3.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-thiophen-2-ylphenyl)carbamate?
The IUPAC name of (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 71465705) is (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is CC(=O)N1CCC(COC(=O)Nc2cc(-c3cccs3)ccc2N)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is UQQSXEHJILZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(23)22-8-6-14(7-9-22)12-25-19(24)21-17-11-15(4-5-16(17)20)18-3-2-10-26-18/h2-5,10-11,14H,6-9,12,20H2,1H3,(H,21,24).
What are the key properties of (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
(1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 373.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 71465705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).