tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate

C15H29N5O3 — CID 168832802

IUPACtert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCCN1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C15H29N5O3/c1-15(2,3)23-14(21)17-7-12-22-11-4-8-20-9-5-13(6-10-20)18-19-16/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyXVJKUEQNSODVBL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.69
Rot. Bonds8

About tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate

tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate (PubChem CID 168832802) has the molecular formula C15H29N5O3 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate
PubChem CID168832802
Molecular FormulaC15H29N5O3
Molecular Weight327.43 g/mol
Exact Mass327.23
IUPAC Nametert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCCN1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C15H29N5O3/c1-15(2,3)23-14(21)17-7-12-22-11-4-8-20-9-5-13(6-10-20)18-19-16/h13H,4-12H2,1-3H3,(H,17,21)
InChIKeyXVJKUEQNSODVBL-UHFFFAOYSA-N
XLogP2.69
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
tert-butyl N-[2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]ethyl]carbamate
CID 169093880
3-[4-[2-[4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]piperazin-1-yl]propanoic acid
CID 170919495
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
(2S)-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrrolidine-2-carboxylic acid
CID 175604221
methyl (2S,4R)-4-azido-1-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoylamino]acetyl]pyrrolidine-2-carboxylate
CID 155613494
tert-butyl N-[3-[4-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]carbamate
CID 176953652
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate (CID 168832802) is tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCCN1CCC(N=[N+]=[N-])CC1.
What is the InChIKey of tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate?
The InChIKey is XVJKUEQNSODVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O3/c1-15(2,3)23-14(21)17-7-12-22-11-4-8-20-9-5-13(6-10-20)18-19-16/h13H,4-12H2,1-3H3,(H,17,21).
What are the key properties of tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate?
tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(4-azidopiperidin-1-yl)propoxy]ethyl]carbamate is sourced from PubChem (CID 168832802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).