Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate

Name: Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₅FN₂O₄ — CID 146123551

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACtert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate

SMILESCOc1cccc(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)c1F

InChIInChI=1S/C18H25FN2O4/c1-18(2,3)25-17(23)21-10-6-7-12(11-21)20-16(22)13-8-5-9-14(24-4)15(13)19/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,20,22)

InChIKeyGLKNWXVOXFEGQM-UHFFFAOYSA-N

MW352.41 g/mol

LogP2.96

Rot. Bonds3

About Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate

Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 146123551) has the molecular formula C₁₈H₂₅FN₂O₄ and a molecular weight of 352.41 g/mol. Its IUPAC name is tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name	Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID	146123551
Molecular Formula	C₁₈H₂₅FN₂O₄
Molecular Weight	352.41 g/mol
Exact Mass	352.18
IUPAC Name	tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
SMILES	COc1cccc(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)c1F
InChI	InChI=1S/C18H25FN2O4/c1-18(2,3)25-17(23)21-10-6-7-12(11-21)20-16(22)13-8-5-9-14(24-4)15(13)19/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,20,22)
InChIKey	GLKNWXVOXFEGQM-UHFFFAOYSA-N
XLogP	2.96
TPSA	67.87 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.41
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate?

The IUPAC name of Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate (CID 146123551) is tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate.

What is the SMILES notation for Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate?

The canonical SMILES for Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate is COc1cccc(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)c1F.

What is the InChIKey of Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate?

The InChIKey is GLKNWXVOXFEGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4/c1-18(2,3)25-17(23)21-10-6-7-12(11-21)20-16(22)13-8-5-9-14(24-4)15(13)19/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,20,22).

What are the key properties of Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate?

Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 146123551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146123551 — identifiers, structure, computed properties (public domain)

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