tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate

C13H24N2O3 — CID 95654557

IUPACtert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
SMILESCC(C)[C@H]1CCNC(=O)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-8(2)9-6-7-14-11(16)10(9)15-12(17)18-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,16)(H,15,17)/t9-,10+/m1/s1
InChIKeyICRIOGQLJQDLAU-ZJUUUORDSA-N
MW256.35 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate

tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate (PubChem CID 95654557) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
PubChem CID95654557
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
SMILESCC(C)[C@H]1CCNC(=O)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-8(2)9-6-7-14-11(16)10(9)15-12(17)18-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,16)(H,15,17)/t9-,10+/m1/s1
InChIKeyICRIOGQLJQDLAU-ZJUUUORDSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
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tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
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tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
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tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate
CID 14329172
tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
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tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
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tert-butyl N-[(2S)-3,4,4-trihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
CID 166936770
tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen
CID 143233012
tert-butyl N-[(2S,3S)-2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate (CID 95654557) is tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate is CC(C)[C@H]1CCNC(=O)[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate?
The InChIKey is ICRIOGQLJQDLAU-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)9-6-7-14-11(16)10(9)15-12(17)18-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,16)(H,15,17)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 95654557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).