tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C23H37N3O3 — CID 55825995

IUPACtert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCc1ccc(NC(=O)CN2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)cc1
InChIInChI=1S/C23H37N3O3/c1-17(2)26(22(28)29-23(4,5)6)15-19-8-7-13-25(14-19)16-21(27)24-20-11-9-18(3)10-12-20/h9-12,17,19H,7-8,13-16H2,1-6H3,(H,24,27)
InChIKeyFLAMGRRGONXCBU-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.29
Rot. Bonds6

About tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55825995) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55825995
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Nametert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCc1ccc(NC(=O)CN2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)cc1
InChIInChI=1S/C23H37N3O3/c1-17(2)26(22(28)29-23(4,5)6)15-19-8-7-13-25(14-19)16-21(27)24-20-11-9-18(3)10-12-20/h9-12,17,19H,7-8,13-16H2,1-6H3,(H,24,27)
InChIKeyFLAMGRRGONXCBU-UHFFFAOYSA-N
XLogP4.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate with MolForge

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Related Compounds

tert-butyl N-[[1-[2-(4-nitroanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55995161
tert-butyl N-[[1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826127
tert-butyl N-[[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826384
tert-butyl N-[[1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55994514
tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 60565340
tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826258
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826643
tert-butyl N-[[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55822568
tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826736
tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55825995) is tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is Cc1ccc(NC(=O)CN2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is FLAMGRRGONXCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-17(2)26(22(28)29-23(4,5)6)15-19-8-7-13-25(14-19)16-21(27)24-20-11-9-18(3)10-12-20/h9-12,17,19H,7-8,13-16H2,1-6H3,(H,24,27).
What are the key properties of tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 403.57 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55825995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).