methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate

C14H26N2O4 — CID 112543205

IUPACmethyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(CC(O)C(C)C)CN(C(C)=O)C1
InChIInChI=1S/C14H26N2O4/c1-9(2)13(18)6-11-5-12(15-14(19)20-4)8-16(7-11)10(3)17/h9,11-13,18H,5-8H2,1-4H3,(H,15,19)
InChIKeyRRAJDVRIFFSVIA-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.99
Rot. Bonds4

About methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate

methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate (PubChem CID 112543205) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
PubChem CID112543205
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(CC(O)C(C)C)CN(C(C)=O)C1
InChIInChI=1S/C14H26N2O4/c1-9(2)13(18)6-11-5-12(15-14(19)20-4)8-16(7-11)10(3)17/h9,11-13,18H,5-8H2,1-4H3,(H,15,19)
InChIKeyRRAJDVRIFFSVIA-UHFFFAOYSA-N
XLogP0.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-hydroxy-3-methylbutyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989746
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133
methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543038
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543225
methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
N-(1-acetyl-5-ethylpiperidin-3-yl)acetamide
CID 112541798
1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 83996454

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate (CID 112543205) is methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate is COC(=O)NC1CC(CC(O)C(C)C)CN(C(C)=O)C1.
What is the InChIKey of methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate?
The InChIKey is RRAJDVRIFFSVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)13(18)6-11-5-12(15-14(19)20-4)8-16(7-11)10(3)17/h9,11-13,18H,5-8H2,1-4H3,(H,15,19).
What are the key properties of methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate?
methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).