tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate

C16H28N2O4 — CID 41242425

IUPACtert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-6-12(7-9-18)14(19)17-11-13-5-4-10-21-13/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyOABHLXIAXUZECT-CYBMUJFWSA-N
MW312.41 g/mol
LogP1.93
Rot. Bonds3

About tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 41242425) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
PubChem CID41242425
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-6-12(7-9-18)14(19)17-11-13-5-4-10-21-13/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyOABHLXIAXUZECT-CYBMUJFWSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 94913786
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
tert-butyl 4-[2-(oxolan-2-ylmethylamino)ethoxy]piperidine-1-carboxylate
CID 107252367
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109146929
tert-butyl 6-(oxolan-2-ylmethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238502
N-(oxolan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4131826
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126025662
4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate
CID 138014225
tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate
CID 142435710

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate (CID 41242425) is tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is OABHLXIAXUZECT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)18-8-6-12(7-9-18)14(19)17-11-13-5-4-10-21-13/h12-13H,4-11H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 41242425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).