ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate

C16H22FN3O3 — CID 142832633

IUPACethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1
InChIInChI=1S/C16H22FN3O3/c1-3-23-16(22)19-12-6-7-20(15(18)21)14(9-12)13-5-4-11(17)8-10(13)2/h4-5,8,12,14H,3,6-7,9H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyWFRKUIVWWNVHDN-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.46
Rot. Bonds3

About ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate

ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate (PubChem CID 142832633) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
PubChem CID142832633
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Nameethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1
InChIInChI=1S/C16H22FN3O3/c1-3-23-16(22)19-12-6-7-20(15(18)21)14(9-12)13-5-4-11(17)8-10(13)2/h4-5,8,12,14H,3,6-7,9H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyWFRKUIVWWNVHDN-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-methylphenyl)-4-[[(3S)-3-hydroxybutanoyl]amino]piperidine-1-carboxamide
CID 69462337
butyl N-[(2R,4S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl-methylcarbamoyl]-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 87738119
2-(4-fluoro-2-methylphenyl)-4-morpholin-4-ylpiperidine-1-carboxamide
CID 142832547
[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 154454349
(2R,4S)-4-[carbamoyl(methyl)amino]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878667
butyl N-[(2R,4S)-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 69217621
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774
4-[(2-aminoacetyl)amino]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;hydrochloride
CID 87844771
(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878588
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-4-[[(3R)-3-hydroxybutanoyl]amino]-N-methylpiperidine-1-carboxamide
CID 10348172
(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate
CID 158441754

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate (CID 142832633) is ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1.
What is the InChIKey of ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate?
The InChIKey is WFRKUIVWWNVHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-3-23-16(22)19-12-6-7-20(15(18)21)14(9-12)13-5-4-11(17)8-10(13)2/h4-5,8,12,14H,3,6-7,9H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate?
ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate has a molecular weight of 323.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-carbamoyl-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 142832633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).