[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate

C24H30N2O4 — CID 27110204

IUPAC[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
SMILESCCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H30N2O4/c1-3-29-22-10-6-5-9-21(22)25-23(27)18(2)30-24(28)20-13-11-19(12-14-20)17-26-15-7-4-8-16-26/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyGXXGDGGKWCMWJL-SFHVURJKSA-N
MW410.51 g/mol
LogP4.26
Rot. Bonds8

About [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate

[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate (PubChem CID 27110204) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
PubChem CID27110204
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
SMILESCCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H30N2O4/c1-3-29-22-10-6-5-9-21(22)25-23(27)18(2)30-24(28)20-13-11-19(12-14-20)17-26-15-7-4-8-16-26/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyGXXGDGGKWCMWJL-SFHVURJKSA-N
XLogP4.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42900448
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 30198862
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
CID 27110198
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768866
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 46624598
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383460
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 55425061
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 8987740
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 43014845
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950966

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate?
The IUPAC name of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate (CID 27110204) is [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate.
What is the SMILES notation for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate?
The canonical SMILES for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate is CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate?
The InChIKey is GXXGDGGKWCMWJL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-29-22-10-6-5-9-21(22)25-23(27)18(2)30-24(28)20-13-11-19(12-14-20)17-26-15-7-4-8-16-26/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate?
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate has a molecular weight of 410.51 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate is sourced from PubChem (CID 27110204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).