tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C19H37N3O3 — CID 60565340

IUPACtert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCCCNC(=O)CN1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C19H37N3O3/c1-7-10-20-17(23)14-21-11-8-9-16(12-21)13-22(15(2)3)18(24)25-19(4,5)6/h15-16H,7-14H2,1-6H3,(H,20,23)
InChIKeyFBLNETQXJIRZDE-UHFFFAOYSA-N
MW355.52 g/mol
LogP2.87
Rot. Bonds7

About tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 60565340) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID60565340
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Nametert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCCCNC(=O)CN1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C19H37N3O3/c1-7-10-20-17(23)14-21-11-8-9-16(12-21)13-22(15(2)3)18(24)25-19(4,5)6/h15-16H,7-14H2,1-6H3,(H,20,23)
InChIKeyFBLNETQXJIRZDE-UHFFFAOYSA-N
XLogP2.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826258
tert-butyl N-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825995
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
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-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
tert-butyl N-[2-[[1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48944150
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566373
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 60565340) is tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CCCNC(=O)CN1CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C1.
What is the InChIKey of tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is FBLNETQXJIRZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-7-10-20-17(23)14-21-11-8-9-16(12-21)13-22(15(2)3)18(24)25-19(4,5)6/h15-16H,7-14H2,1-6H3,(H,20,23).
What are the key properties of tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 355.52 g/mol, XLogP of 2.87, 7 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-oxo-2-(propylamino)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 60565340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).