tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate

C15H26N2O4 — CID 90290949

IUPACtert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COCCC1N1CCC(=O)CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)16-12-10-20-9-6-13(12)17-7-4-11(18)5-8-17/h12-13H,4-10H2,1-3H3,(H,16,19)/t12-,13?/m1/s1
InChIKeyAOCQTUSXQGLDBV-PZORYLMUSA-N
MW298.38 g/mol
LogP1.33
Rot. Bonds2

About tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate

tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate (PubChem CID 90290949) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate
PubChem CID90290949
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COCCC1N1CCC(=O)CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)16-12-10-20-9-6-13(12)17-7-4-11(18)5-8-17/h12-13H,4-10H2,1-3H3,(H,16,19)/t12-,13?/m1/s1
InChIKeyAOCQTUSXQGLDBV-PZORYLMUSA-N
XLogP1.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
CID 67358967
tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate
CID 71145361
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
tert-butyl N-[(3R,4S)-4-cyanooxan-3-yl]carbamate
CID 171441505
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
CID 67358949
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
tert-butyl N-[(6S,7R,8R,8aS)-7,8-dihydroxy-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]carbamate
CID 11129950
tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
CID 165498547
tert-butyl N-[(3S,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]carbamate
CID 97071959
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate (CID 90290949) is tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1COCCC1N1CCC(=O)CC1.
What is the InChIKey of tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate?
The InChIKey is AOCQTUSXQGLDBV-PZORYLMUSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)16-12-10-20-9-6-13(12)17-7-4-11(18)5-8-17/h12-13H,4-10H2,1-3H3,(H,16,19)/t12-,13?/m1/s1.
What are the key properties of tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate?
tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate has a molecular weight of 298.38 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate is sourced from PubChem (CID 90290949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).