tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate

C15H29N3O3 — CID 50987865

IUPACtert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate
SMILESCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(N)CC1
InChIInChI=1S/C15H29N3O3/c1-5-6-12(17-14(20)21-15(2,3)4)13(19)18-9-7-11(16)8-10-18/h11-12H,5-10,16H2,1-4H3,(H,17,20)
InChIKeyQLLGQAAJTHGHJG-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.63
Rot. Bonds4

About tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate

tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate (PubChem CID 50987865) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate
PubChem CID50987865
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate
SMILESCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(N)CC1
InChIInChI=1S/C15H29N3O3/c1-5-6-12(17-14(20)21-15(2,3)4)13(19)18-9-7-11(16)8-10-18/h11-12H,5-10,16H2,1-4H3,(H,17,20)
InChIKeyQLLGQAAJTHGHJG-UHFFFAOYSA-N
XLogP1.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-(4-carbamoylpiperidin-1-yl)-1-sulfanylidenepentan-2-yl]carbamate
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3-(1-ethoxycarbonylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20825377
ethyl 4-[(2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
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(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
CID 125180523
N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119373638
tert-butyl N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
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tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
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tert-butyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 14281310
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
tert-butyl N-[(2R)-1-(3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 71279861
tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate (CID 50987865) is tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate is CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(N)CC1.
What is the InChIKey of tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate?
The InChIKey is QLLGQAAJTHGHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-6-12(17-14(20)21-15(2,3)4)13(19)18-9-7-11(16)8-10-18/h11-12H,5-10,16H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 50987865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).