tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate

C15H28N2O3 — CID 67192254

IUPACtert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(C1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(12-6-9-19-10-7-12)13-5-4-8-16-11-13/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyGSVRCYMEHUMIMI-ZDUSSCGKSA-N
MW284.40 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate

tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate (PubChem CID 67192254) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate
PubChem CID67192254
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(C1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(12-6-9-19-10-7-12)13-5-4-8-16-11-13/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyGSVRCYMEHUMIMI-ZDUSSCGKSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-BOC-3-Aminopiperidine
CID 545809
4-(Piperidin-4-yloxy)-piperidine-1-carboxylic acid t-butyl ester
CID 53407862
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166
tert-Butyl 4-(piperidin-4-yl)piperazine-1-carboxylate
CID 17750356
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate--hydrogen chloride (1/1)
CID 17750357
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate
CID 17750358
tert-Butyl 3-(methylamino)piperidine-1-carboxylate
CID 17750458
tert-Butyl (3S)-3-(methylamino)piperidine-1-carboxylate
CID 25631268
tert-Butyl methyl((3R)-piperidin-3-yl)carbamate
CID 28875356
tert-butyl N-methyl-N-[(3S)-piperidin-3-yl]carbamate
CID 28875358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate (CID 67192254) is tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N(C1CCOCC1)[C@H]1CCCNC1.
What is the InChIKey of tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate?
The InChIKey is GSVRCYMEHUMIMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(12-6-9-19-10-7-12)13-5-4-8-16-11-13/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate?
tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxan-4-yl)-N-[(3S)-piperidin-3-yl]carbamate is sourced from PubChem (CID 67192254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).