tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate

C15H30N4O3 — CID 103821865

IUPACtert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H30N4O3/c1-15(2,3)22-14(21)18-8-4-7-17-12-5-9-19(10-6-12)11-13(16)20/h12,17H,4-11H2,1-3H3,(H2,16,20)(H,18,21)
InChIKeyNENRZCKWHALAOB-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.44
Rot. Bonds7

About tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate

tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate (PubChem CID 103821865) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate
PubChem CID103821865
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Nametert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H30N4O3/c1-15(2,3)22-14(21)18-8-4-7-17-12-5-9-19(10-6-12)11-13(16)20/h12,17H,4-11H2,1-3H3,(H2,16,20)(H,18,21)
InChIKeyNENRZCKWHALAOB-UHFFFAOYSA-N
XLogP0.44
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 141409731
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tert-butyl N-[3-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
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tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
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tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
CID 126820899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate (CID 103821865) is tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNC1CCN(CC(N)=O)CC1.
What is the InChIKey of tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate?
The InChIKey is NENRZCKWHALAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-15(2,3)22-14(21)18-8-4-7-17-12-5-9-19(10-6-12)11-13(16)20/h12,17H,4-11H2,1-3H3,(H2,16,20)(H,18,21).
What are the key properties of tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate?
tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate is sourced from PubChem (CID 103821865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).