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

C17H22F2N2O3 — CID 146136314

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 Namemethyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID146136314
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Namemethyl 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
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370
N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119314240
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
tert-butyl (3S)-3-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
CID 38370609
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048626
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26355855
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890

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).