tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate

C20H37N3O5 — CID 57060763

IUPACtert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate
SMILESCCC1CCN(C(=O)C(CCCN(CC)C(=O)OC(C)(C)C)OC(N)=O)CC1
InChIInChI=1S/C20H37N3O5/c1-6-15-10-13-23(14-11-15)17(24)16(27-18(21)25)9-8-12-22(7-2)19(26)28-20(3,4)5/h15-16H,6-14H2,1-5H3,(H2,21,25)
InChIKeyKWHVDPUHBCHTAD-UHFFFAOYSA-N
MW399.53 g/mol
LogP3.14
Rot. Bonds8

About tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate

tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate (PubChem CID 57060763) has the molecular formula C20H37N3O5 and a molecular weight of 399.53 g/mol. Its IUPAC name is tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate
PubChem CID57060763
Molecular FormulaC20H37N3O5
Molecular Weight399.53 g/mol
Exact Mass399.27
IUPAC Nametert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate
SMILESCCC1CCN(C(=O)C(CCCN(CC)C(=O)OC(C)(C)C)OC(N)=O)CC1
InChIInChI=1S/C20H37N3O5/c1-6-15-10-13-23(14-11-15)17(24)16(27-18(21)25)9-8-12-22(7-2)19(26)28-20(3,4)5/h15-16H,6-14H2,1-5H3,(H2,21,25)
InChIKeyKWHVDPUHBCHTAD-UHFFFAOYSA-N
XLogP3.14
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]methyl]-N-ethylcarbamate
CID 66566359
tert-butyl N-cyclopropyl-N-[4-[[1-[(2S)-2,4-diamino-4-oxobutanoyl]piperidin-4-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
CID 139906782
tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate
CID 56826198
tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722256
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
tert-butyl N-[2-[3-(butylaminomethyl)pyrrolidin-1-yl]ethyl]-N-ethylcarbamate
CID 112722255
2-(diethylcarbamoyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
CID 91041439
tert-butyl N-ethyl-N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111211620
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688615
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate (CID 57060763) is tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate is CCC1CCN(C(=O)C(CCCN(CC)C(=O)OC(C)(C)C)OC(N)=O)CC1.
What is the InChIKey of tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate?
The InChIKey is KWHVDPUHBCHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O5/c1-6-15-10-13-23(14-11-15)17(24)16(27-18(21)25)9-8-12-22(7-2)19(26)28-20(3,4)5/h15-16H,6-14H2,1-5H3,(H2,21,25).
What are the key properties of tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate?
tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate has a molecular weight of 399.53 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-carbamoyloxy-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]-N-ethylcarbamate is sourced from PubChem (CID 57060763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).