tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate

C19H33N3O4 — CID 71145361

IUPACtert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@@H]1N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C19H33N3O4/c1-19(2,3)26-18(24)20-15-12-25-13-16(15)21-10-7-14(8-11-21)22-9-5-4-6-17(22)23/h14-16H,4-13H2,1-3H3,(H,20,24)/t15-,16-/m0/s1
InChIKeyQLCPVJRFXHBYBB-HOTGVXAUSA-N
MW367.49 g/mol
LogP1.76
Rot. Bonds3

About tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate

tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate (PubChem CID 71145361) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate
PubChem CID71145361
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Nametert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@@H]1N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C19H33N3O4/c1-19(2,3)26-18(24)20-15-12-25-13-16(15)21-10-7-14(8-11-21)22-9-5-4-6-17(22)23/h14-16H,4-13H2,1-3H3,(H,20,24)/t15-,16-/m0/s1
InChIKeyQLCPVJRFXHBYBB-HOTGVXAUSA-N
XLogP1.76
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
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tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate
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tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
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tert-butyl N-[(3S,4S)-1-(5-bromo-2-pyridinyl)-4-(2-oxopiperidin-1-yl)pyrrolidin-3-yl]carbamate
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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-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
CID 130985784
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
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tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate (CID 71145361) is tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate?
The InChIKey is QLCPVJRFXHBYBB-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-19(2,3)26-18(24)20-15-12-25-13-16(15)21-10-7-14(8-11-21)22-9-5-4-6-17(22)23/h14-16H,4-13H2,1-3H3,(H,20,24)/t15-,16-/m0/s1.
What are the key properties of tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate?
tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate has a molecular weight of 367.49 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate is sourced from PubChem (CID 71145361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).