methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

C16H30N2O4 — CID 112544419

IUPACmethyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCCCCC1CC(NC(=O)OC(C)(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C16H30N2O4/c1-6-7-8-12-9-13(11-18(10-12)15(20)21-5)17-14(19)22-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyGCFFUENVMUHZKL-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.16
Rot. Bonds4

About methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 112544419) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID112544419
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Namemethyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCCCCC1CC(NC(=O)OC(C)(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C16H30N2O4/c1-6-7-8-12-9-13(11-18(10-12)15(20)21-5)17-14(19)22-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyGCFFUENVMUHZKL-UHFFFAOYSA-N
XLogP3.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544429
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
CID 112543336
ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
CID 112544454
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137

Frequently Asked Questions

What is the IUPAC name of methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 112544419) is methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is CCCCC1CC(NC(=O)OC(C)(C)C)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is GCFFUENVMUHZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-6-7-8-12-9-13(11-18(10-12)15(20)21-5)17-14(19)22-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 112544419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).