tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate

C10H19N3O3 — CID 122432272

IUPACtert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(N=O)C1
InChIInChI=1S/C10H19N3O3/c1-10(2,3)16-9(14)11-8-5-4-6-13(7-8)12-15/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyPOLYCIVUTKSOAP-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds2

About tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate

tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate (PubChem CID 122432272) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
PubChem CID122432272
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nametert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(N=O)C1
InChIInChI=1S/C10H19N3O3/c1-10(2,3)16-9(14)11-8-5-4-6-13(7-8)12-15/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyPOLYCIVUTKSOAP-UHFFFAOYSA-N
XLogP1.66
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
CID 171837901
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate
CID 175525054
tert-butyl N-[(3R)-1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]carbamate
CID 171852591
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 124909009
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate (CID 122432272) is tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCCN(N=O)C1.
What is the InChIKey of tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate?
The InChIKey is POLYCIVUTKSOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,3)16-9(14)11-8-5-4-6-13(7-8)12-15/h8H,4-7H2,1-3H3,(H,11,14).
What are the key properties of tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate?
tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate has a molecular weight of 229.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate is sourced from PubChem (CID 122432272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).