tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate

C16H30N4O4 — CID 51102081

IUPACtert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate
SMILESCCNC(=O)NC(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O4/c1-5-17-14(22)19-13(21)11-20-8-6-12(7-9-20)10-18-15(23)24-16(2,3)4/h12H,5-11H2,1-4H3,(H,18,23)(H2,17,19,21,22)
InChIKeyUETCQVOKYONAJG-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.07
Rot. Bonds5

About tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate (PubChem CID 51102081) has the molecular formula C16H30N4O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate
PubChem CID51102081
Molecular FormulaC16H30N4O4
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Nametert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate
SMILESCCNC(=O)NC(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O4/c1-5-17-14(22)19-13(21)11-20-8-6-12(7-9-20)10-18-15(23)24-16(2,3)4/h12H,5-11H2,1-4H3,(H,18,23)(H2,17,19,21,22)
InChIKeyUETCQVOKYONAJG-UHFFFAOYSA-N
XLogP1.07
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62217877
tert-butyl N-[[1-(2-chloroprop-2-enyl)piperidin-4-yl]methyl]carbamate
CID 71967835
tert-butyl N-[[(3R)-1-[5-(ethylcarbamoylamino)pentyl]pyrrolidin-3-yl]methyl]carbamate
CID 54146573
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
CID 63849644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate (CID 51102081) is tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate is CCNC(=O)NC(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is UETCQVOKYONAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4/c1-5-17-14(22)19-13(21)11-20-8-6-12(7-9-20)10-18-15(23)24-16(2,3)4/h12H,5-11H2,1-4H3,(H,18,23)(H2,17,19,21,22).
What are the key properties of tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 51102081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).