tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate

C14H27N3O2 — CID 82379344

IUPACtert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN[C@H]1C1CCCNC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-11-6-8-16-12(11)10-5-4-7-15-9-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)/t10?,11-,12+/m1/s1
InChIKeyZWYNIXZDVBSHQB-SAIIYOCFSA-N
MW269.39 g/mol
LogP1.24
Rot. Bonds2

About tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate

tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate (PubChem CID 82379344) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate
PubChem CID82379344
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN[C@H]1C1CCCNC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-11-6-8-16-12(11)10-5-4-7-15-9-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)/t10?,11-,12+/m1/s1
InChIKeyZWYNIXZDVBSHQB-SAIIYOCFSA-N
XLogP1.24
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R,3R)-6-oxo-2-[(3S)-piperidin-3-yl]piperidin-3-yl]carbamate
CID 124709909
tert-butyl N-[(7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]carbamate
CID 22871748
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate
CID 18939323
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(4-cyclohexylpyrrolidin-3-yl)carbamate
CID 18939351
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
tert-butyl N-[(3S,4R)-4-cyclohexylpyrrolidin-3-yl]carbamate
CID 129387241

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate (CID 82379344) is tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN[C@H]1C1CCCNC1.
What is the InChIKey of tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate?
The InChIKey is ZWYNIXZDVBSHQB-SAIIYOCFSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-11-6-8-16-12(11)10-5-4-7-15-9-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)/t10?,11-,12+/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate has a molecular weight of 269.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 82379344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).