tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

C16H30N2O4 — CID 95913489

IUPACtert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESC[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-11-10-12(17-13(19)21-15(2,3)4)8-9-18(11)14(20)22-16(5,6)7/h11-12H,8-10H2,1-7H3,(H,17,19)/t11-,12+/m0/s1
InChIKeySVRFXOKOXZLDFC-NWDGAFQWSA-N
MW314.43 g/mol
LogP3.30
Rot. Bonds1

About tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 95913489) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID95913489
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESC[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-11-10-12(17-13(19)21-15(2,3)4)8-9-18(11)14(20)22-16(5,6)7/h11-12H,8-10H2,1-7H3,(H,17,19)/t11-,12+/m0/s1
InChIKeySVRFXOKOXZLDFC-NWDGAFQWSA-N
XLogP3.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
CID 107094474
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate
CID 107094441
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl 2-methyl-4-(piperidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107255197
tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 107095247
tert-butyl (2R,4R)-4-[(1-cyanocyclopentanecarbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 100683081
tert-butyl (2S,4R)-4-[(1-cyanocyclopentanecarbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 100683103
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl 2-methyl-4-[(2-methylthian-3-yl)amino]piperidine-1-carboxylate
CID 107255183

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 95913489) is tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is SVRFXOKOXZLDFC-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-11-10-12(17-13(19)21-15(2,3)4)8-9-18(11)14(20)22-16(5,6)7/h11-12H,8-10H2,1-7H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 95913489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).