tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate

C18H31N3O4 — CID 86605311

IUPACtert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)C1
InChIInChI=1S/C18H31N3O4/c1-18(2,3)25-17(24)20-8-4-5-12(11-20)19-16(23)21-13-6-7-14(21)10-15(22)9-13/h12-15,22H,4-11H2,1-3H3,(H,19,23)/t12-,13-,14-/m0/s1
InChIKeyZFYXLUCEOTUJDA-IHRRRGAJSA-N
MW353.46 g/mol
LogP2.08
Rot. Bonds1

About tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate

tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 86605311) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate
PubChem CID86605311
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Nametert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)C1
InChIInChI=1S/C18H31N3O4/c1-18(2,3)25-17(24)20-8-4-5-12(11-20)19-16(23)21-13-6-7-14(21)10-15(22)9-13/h12-15,22H,4-11H2,1-3H3,(H,19,23)/t12-,13-,14-/m0/s1
InChIKeyZFYXLUCEOTUJDA-IHRRRGAJSA-N
XLogP2.08
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{1-[2-(3-Hydroxy-8-aza-bicyclo[3.2.1]oct-8-yl)-ethyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66841981
(1S,5R)-3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
CID 68876247
(1S,5R)-3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68876248
3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
CID 68876251
3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68876252
N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 69153960
(3S)-3-[[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylic acid
CID 69193681
(3S)-3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]piperidine-1-carboxylic acid
CID 69193684
Tert-butyl 3-([3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]carbonylamino)piperidine-1-carboxylate
CID 69524229
(1S,5S)-3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
CID 69617862
(1S,5S)-3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 69617863
(3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylic acid
CID 69617995

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate (CID 86605311) is tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)C1.
What is the InChIKey of tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is ZFYXLUCEOTUJDA-IHRRRGAJSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-18(2,3)25-17(24)20-8-4-5-12(11-20)19-16(23)21-13-6-7-14(21)10-15(22)9-13/h12-15,22H,4-11H2,1-3H3,(H,19,23)/t12-,13-,14-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 86605311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).