tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate

C15H28N4O4 — CID 108558901

IUPACtert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESCN(C)C(=O)N1CCC(NC(=O)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N4O4/c1-15(2,3)23-13(21)16-10-12(20)17-11-6-8-19(9-7-11)14(22)18(4)5/h11H,6-10H2,1-5H3,(H,16,21)(H,17,20)
InChIKeyCJJIAPDHYXNQCF-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.77
Rot. Bonds3

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

tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate (PubChem CID 108558901) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
PubChem CID108558901
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Nametert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESCN(C)C(=O)N1CCC(NC(=O)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N4O4/c1-15(2,3)23-13(21)16-10-12(20)17-11-6-8-19(9-7-11)14(22)18(4)5/h11H,6-10H2,1-5H3,(H,16,21)(H,17,20)
InChIKeyCJJIAPDHYXNQCF-UHFFFAOYSA-N
XLogP0.77
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108558938
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
tert-butyl N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558894
tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 113350804
tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 75444294
tert-butyl N-[2-oxo-2-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548176
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132
tert-butyl N-[2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916814
tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548177
tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548165
tert-butyl N-[2-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108916837
tert-butyl N-[3-oxo-3-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548224

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate (CID 108558901) is tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate is CN(C)C(=O)N1CCC(NC(=O)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is CJJIAPDHYXNQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-15(2,3)23-13(21)16-10-12(20)17-11-6-8-19(9-7-11)14(22)18(4)5/h11H,6-10H2,1-5H3,(H,16,21)(H,17,20).
What are the key properties of tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108558901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).