tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate

C15H28N4O4 — CID 175330286

IUPACtert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C2CCC([N+](=O)[O-])NC2)C1
InChIInChI=1S/C15H28N4O4/c1-15(2,3)23-14(20)17-11-5-4-8-18(10-11)12-6-7-13(16-9-12)19(21)22/h11-13,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyFFUIRLGGGPRRFW-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.33
Rot. Bonds3

About tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate (PubChem CID 175330286) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate
PubChem CID175330286
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Nametert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C2CCC([N+](=O)[O-])NC2)C1
InChIInChI=1S/C15H28N4O4/c1-15(2,3)23-14(20)17-11-5-4-8-18(10-11)12-6-7-13(16-9-12)19(21)22/h11-13,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyFFUIRLGGGPRRFW-UHFFFAOYSA-N
XLogP1.33
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 124909009
tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
CID 171837901
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
tert-butyl N-cyclopropyl-N-[[(2S)-4-(6-nitropiperidin-3-yl)morpholin-2-yl]methyl]carbamate
CID 165176098
tert-butyl N-[1-(6-nitropiperidin-2-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 165176103
tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
CID 122432272
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate
CID 86341328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate (CID 175330286) is tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(C2CCC([N+](=O)[O-])NC2)C1.
What is the InChIKey of tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate?
The InChIKey is FFUIRLGGGPRRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-15(2,3)23-14(20)17-11-5-4-8-18(10-11)12-6-7-13(16-9-12)19(21)22/h11-13,16H,4-10H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-nitropiperidin-3-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 175330286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).