[(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate

C20H22N2O3 — CID 101157575

IUPAC[(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate
SMILESCc1ccc([C@@H]2CC(=O)N[C@H](COC(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-7-9-15(10-8-14)16-11-18(21-19(23)12-16)13-25-20(24)22-17-5-3-2-4-6-17/h2-10,16,18H,11-13H2,1H3,(H,21,23)(H,22,24)/t16-,18-/m0/s1
InChIKeySDQWRHCMWZFKNW-WMZOPIPTSA-N
MW338.41 g/mol
LogP3.61
Rot. Bonds4

About [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate

[(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate (PubChem CID 101157575) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate
PubChem CID101157575
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate
SMILESCc1ccc([C@@H]2CC(=O)N[C@H](COC(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-7-9-15(10-8-14)16-11-18(21-19(23)12-16)13-25-20(24)22-17-5-3-2-4-6-17/h2-10,16,18H,11-13H2,1H3,(H,21,23)(H,22,24)/t16-,18-/m0/s1
InChIKeySDQWRHCMWZFKNW-WMZOPIPTSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-2-ylmethyl N-(4-methylphenyl)carbamate
CID 79337808
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
CID 13195045
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
CID 12650344
(4-methyl-5-oxooxolan-2-yl)methyl N-phenylcarbamate;phenylcarbamic acid
CID 162736902
1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate
CID 165348255
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate
CID 12706673
[4-amino-3-(phenylcarbamoyloxymethyl)cyclohexyl]-tert-butylcarbamic acid
CID 69286015
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-phenylcarbamate
CID 11871214
[2-(aminomethyl)cyclopentyl]methyl N-(3-methylphenyl)carbamate
CID 79336958

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate?
The IUPAC name of [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate (CID 101157575) is [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate?
The canonical SMILES for [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate is Cc1ccc([C@@H]2CC(=O)N[C@H](COC(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate?
The InChIKey is SDQWRHCMWZFKNW-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-7-9-15(10-8-14)16-11-18(21-19(23)12-16)13-25-20(24)22-17-5-3-2-4-6-17/h2-10,16,18H,11-13H2,1H3,(H,21,23)(H,22,24)/t16-,18-/m0/s1.
What are the key properties of [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate?
[(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate has a molecular weight of 338.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(4-methylphenyl)-6-oxopiperidin-2-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 101157575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).