benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate

C19H28N2O4 — CID 67159227

IUPACbenzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-4-19(2,3)25-17(22)20-16-10-12-21(13-11-16)18(23)24-14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,20,22)
InChIKeyLBPJIUVULJQCNI-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.70
Rot. Bonds5

About benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate

benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate (PubChem CID 67159227) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate
PubChem CID67159227
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-4-19(2,3)25-17(22)20-16-10-12-21(13-11-16)18(23)24-14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,20,22)
InChIKeyLBPJIUVULJQCNI-UHFFFAOYSA-N
XLogP3.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142005504
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CID 14555478
benzyl 4-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperazine-1-carboxylate
CID 165176941
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]piperidine-1-carboxylate
CID 174995005
benzyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]piperidine-1-carboxylate
CID 142425798
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 76614972
benzyl 4-[[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]piperidine-1-carboxylate
CID 146034151
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
benzyl 4-[2-[[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methoxy]ethyl]piperidine-1-carboxylate
CID 167440013
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyrrolidine-1-carboxylate
CID 118431252
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate (CID 67159227) is benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate is CCC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate?
The InChIKey is LBPJIUVULJQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-19(2,3)25-17(22)20-16-10-12-21(13-11-16)18(23)24-14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,20,22).
What are the key properties of benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate?
benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 67159227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).