tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate

C17H30N2O4 — CID 95285798

IUPACtert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate
SMILESC[C@@H]1C[C@@H](N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C(=O)O1
InChIInChI=1S/C17H30N2O4/c1-12-9-14(15(20)22-12)19-8-6-7-13(11-19)10-18(5)16(21)23-17(2,3)4/h12-14H,6-11H2,1-5H3/t12-,13-,14-/m1/s1
InChIKeyCJVHQXFAEZBUOH-MGPQQGTHSA-N
MW326.44 g/mol
LogP2.27
Rot. Bonds3

About tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate

tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate (PubChem CID 95285798) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate
PubChem CID95285798
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate
SMILESC[C@@H]1C[C@@H](N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C(=O)O1
InChIInChI=1S/C17H30N2O4/c1-12-9-14(15(20)22-12)19-8-6-7-13(11-19)10-18(5)16(21)23-17(2,3)4/h12-14H,6-11H2,1-5H3/t12-,13-,14-/m1/s1
InChIKeyCJVHQXFAEZBUOH-MGPQQGTHSA-N
XLogP2.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566198
tert-butyl N-[[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566270
tert-butyl N-[[(3R)-1-[2-[(3aS,4R,7R,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]acetyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 124840458
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
tert-butyl N-[[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52754533
tert-butyl 4-[2-[(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 99792256
(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129424922
tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 47796215
tert-butyl N-[[1-[(2E,4E)-hexa-2,4-dienoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 60587549
tert-butyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 66566264
tert-butyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 96553688

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate (CID 95285798) is tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate is C[C@@H]1C[C@@H](N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C(=O)O1.
What is the InChIKey of tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate?
The InChIKey is CJVHQXFAEZBUOH-MGPQQGTHSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-12-9-14(15(20)22-12)19-8-6-7-13(11-19)10-18(5)16(21)23-17(2,3)4/h12-14H,6-11H2,1-5H3/t12-,13-,14-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate has a molecular weight of 326.44 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[(3S)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 95285798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).