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

C15H28N2O5 — CID 112544429

IUPACmethyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCCC(O)C1CC(NC(=O)OC(C)(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C15H28N2O5/c1-6-12(18)10-7-11(9-17(8-10)14(20)21-5)16-13(19)22-15(2,3)4/h10-12,18H,6-9H2,1-5H3,(H,16,19)
InChIKeyWDEXLWHUPDZKDK-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.74
Rot. Bonds3

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

methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 112544429) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID112544429
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Namemethyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCCC(O)C1CC(NC(=O)OC(C)(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C15H28N2O5/c1-6-12(18)10-7-11(9-17(8-10)14(20)21-5)16-13(19)22-15(2,3)4/h10-12,18H,6-9H2,1-5H3,(H,16,19)
InChIKeyWDEXLWHUPDZKDK-UHFFFAOYSA-N
XLogP1.74
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
CID 112542661
tert-butyl N-[1-(2-aminoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544878
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544837
methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
CID 83990952
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543103
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
methyl N-[1-(cyanomethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543535
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 112544429) is methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is CCC(O)C1CC(NC(=O)OC(C)(C)C)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is WDEXLWHUPDZKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-6-12(18)10-7-11(9-17(8-10)14(20)21-5)16-13(19)22-15(2,3)4/h10-12,18H,6-9H2,1-5H3,(H,16,19).
What are the key properties of methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 112544429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).