tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate

C23H35N3O5 — CID 96522341

IUPACtert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H35N3O5/c1-23(2,3)31-22(29)25(14-15-30-4)17-20(27)26-13-9-8-12-19(26)16-24-21(28)18-10-6-5-7-11-18/h5-7,10-11,19H,8-9,12-17H2,1-4H3,(H,24,28)/t19-/m0/s1
InChIKeyCYWLYJNJIBAVQO-IBGZPJMESA-N
MW433.55 g/mol
LogP2.68
Rot. Bonds8

About tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate (PubChem CID 96522341) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
PubChem CID96522341
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Nametert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H35N3O5/c1-23(2,3)31-22(29)25(14-15-30-4)17-20(27)26-13-9-8-12-19(26)16-24-21(28)18-10-6-5-7-11-18/h5-7,10-11,19H,8-9,12-17H2,1-4H3,(H,24,28)/t19-/m0/s1
InChIKeyCYWLYJNJIBAVQO-IBGZPJMESA-N
XLogP2.68
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 11374604
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119951018
5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690266
tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 86848385
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea
CID 126423894
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246
N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide
CID 111613868
benzyl 4-[[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidine-1-carboxylate
CID 157021734
1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728833
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate (CID 96522341) is tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate is COCCN(CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is CYWLYJNJIBAVQO-IBGZPJMESA-N. The full InChI is InChI=1S/C23H35N3O5/c1-23(2,3)31-22(29)25(14-15-30-4)17-20(27)26-13-9-8-12-19(26)16-24-21(28)18-10-6-5-7-11-18/h5-7,10-11,19H,8-9,12-17H2,1-4H3,(H,24,28)/t19-/m0/s1.
What are the key properties of tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate?
tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 433.55 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 96522341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).