tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate

C15H26N2O5 — CID 71567400

IUPACtert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C15H26N2O5/c1-14(2,3)21-12(19)16-10-7-8-17(9-11(10)18)13(20)22-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,19)
InChIKeyKTCBMPIALPKMGF-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.09
Rot. Bonds1

About tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate

tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate (PubChem CID 71567400) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate
PubChem CID71567400
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C15H26N2O5/c1-14(2,3)21-12(19)16-10-7-8-17(9-11(10)18)13(20)22-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,19)
InChIKeyKTCBMPIALPKMGF-UHFFFAOYSA-N
XLogP2.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
CID 97007931
tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate
CID 71695402
tert-butyl 4-(2-methoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 46941587
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl 3-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 15136241
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
tert-butyl 4-cyano-3-oxoazepane-1-carboxylate
CID 166712780
tert-butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 18456551
tert-butyl (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 130735515
tert-butyl 3-oxo-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylate
CID 131111060
tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate
CID 83488576
tert-butyl N-[(4S)-1,1,3-trioxothian-4-yl]carbamate
CID 11807521

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate (CID 71567400) is tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate?
The InChIKey is KTCBMPIALPKMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-14(2,3)21-12(19)16-10-7-8-17(9-11(10)18)13(20)22-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,19).
What are the key properties of tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate?
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 71567400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).