[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate

C21H24N2O3 — CID 7505878

IUPAC[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
SMILESC[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-16-9-7-8-14-23(16)20(24)15-26-21(25)18-12-5-6-13-19(18)22-17-10-3-2-4-11-17/h2-6,10-13,16,22H,7-9,14-15H2,1H3/t16-/m0/s1
InChIKeyREUFLTMXUQVNNV-INIZCTEOSA-N
MW352.43 g/mol
LogP3.99
Rot. Bonds5

About [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate

[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate (PubChem CID 7505878) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
PubChem CID7505878
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
SMILESC[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-16-9-7-8-14-23(16)20(24)15-26-21(25)18-12-5-6-13-19(18)22-17-10-3-2-4-11-17/h2-6,10-13,16,22H,7-9,14-15H2,1H3/t16-/m0/s1
InChIKeyREUFLTMXUQVNNV-INIZCTEOSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 8015609
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
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[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 55317036
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 42974308
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327333
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 2582023
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228522
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009468
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616940
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289408

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate?
The IUPAC name of [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate (CID 7505878) is [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate?
The canonical SMILES for [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate is C[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1Nc1ccccc1.
What is the InChIKey of [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate?
The InChIKey is REUFLTMXUQVNNV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-9-7-8-14-23(16)20(24)15-26-21(25)18-12-5-6-13-19(18)22-17-10-3-2-4-11-17/h2-6,10-13,16,22H,7-9,14-15H2,1H3/t16-/m0/s1.
What are the key properties of [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate?
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate has a molecular weight of 352.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate is sourced from PubChem (CID 7505878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).