tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate

C17H31N3O4 — CID 124831975

IUPACtert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate
SMILESC[C@H](NC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCO1
InChIInChI=1S/C17H31N3O4/c1-12(14-8-6-10-23-14)18-15(21)20-9-5-7-13(11-20)19-16(22)24-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,21)(H,19,22)/t12-,13+,14+/m0/s1
InChIKeyFNCCJTWENQJRAA-BFHYXJOUSA-N
MW341.45 g/mol
LogP2.25
Rot. Bonds3

About tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate (PubChem CID 124831975) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate
PubChem CID124831975
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nametert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate
SMILESC[C@H](NC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCO1
InChIInChI=1S/C17H31N3O4/c1-12(14-8-6-10-23-14)18-15(21)20-9-5-7-13(11-20)19-16(22)24-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,21)(H,19,22)/t12-,13+,14+/m0/s1
InChIKeyFNCCJTWENQJRAA-BFHYXJOUSA-N
XLogP2.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
CID 94648216
(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119882
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate
CID 130475488
tert-butyl N-[(3S)-1-(2-adamantylcarbamoyl)piperidin-3-yl]carbamate
CID 66883397
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
tert-butyl (2R)-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35257976
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 124777449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate (CID 124831975) is tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate is C[C@H](NC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCO1.
What is the InChIKey of tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate?
The InChIKey is FNCCJTWENQJRAA-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-12(14-8-6-10-23-14)18-15(21)20-9-5-7-13(11-20)19-16(22)24-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,21)(H,19,22)/t12-,13+,14+/m0/s1.
What are the key properties of tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate has a molecular weight of 341.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 124831975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).