Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate

Name: Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₂F₂N₂O₃ — CID 146136314

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

IUPACmethyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate

SMILESCCN(Cc1c(F)cccc1F)C(=O)C1CCN(C(=O)OC)CC1

InChIInChI=1S/C17H22F2N2O3/c1-3-20(11-13-14(18)5-4-6-15(13)19)16(22)12-7-9-21(10-8-12)17(23)24-2/h4-6,12H,3,7-11H2,1-2H3

InChIKeyQUTVUSBMMJGBCN-UHFFFAOYSA-N

MW340.37 g/mol

LogP2.79

Rot. Bonds4

About Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate

Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 146136314) has the molecular formula C₁₇H₂₂F₂N₂O₃ and a molecular weight of 340.37 g/mol. Its IUPAC name is methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name	Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID	146136314
Molecular Formula	C₁₇H₂₂F₂N₂O₃
Molecular Weight	340.37 g/mol
Exact Mass	340.16
IUPAC Name	methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
SMILES	CCN(Cc1c(F)cccc1F)C(=O)C1CCN(C(=O)OC)CC1
InChI	InChI=1S/C17H22F2N2O3/c1-3-20(11-13-14(18)5-4-6-15(13)19)16(22)12-7-9-21(10-8-12)17(23)24-2/h4-6,12H,3,7-11H2,1-2H3
InChIKey	QUTVUSBMMJGBCN-UHFFFAOYSA-N
XLogP	2.79
TPSA	49.85 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.37
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate?

The IUPAC name of Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate (CID 146136314) is methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate.

What is the SMILES notation for Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate?

The canonical SMILES for Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate is CCN(Cc1c(F)cccc1F)C(=O)C1CCN(C(=O)OC)CC1.

What is the InChIKey of Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate?

The InChIKey is QUTVUSBMMJGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-3-20(11-13-14(18)5-4-6-15(13)19)16(22)12-7-9-21(10-8-12)17(23)24-2/h4-6,12H,3,7-11H2,1-2H3.

What are the key properties of Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate?

Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 340.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 146136314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146136314 — identifiers, structure, computed properties (public domain)

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