methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate

C14H26N2O4 — CID 112543245

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

About methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate

methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate (PubChem CID 112543245) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
PubChem CID112543245
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(C(C)O)CN(C(=O)CC(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-9(2)5-13(18)16-7-11(10(3)17)6-12(8-16)15-14(19)20-4/h9-12,17H,5-8H2,1-4H3,(H,15,19)
InChIKeyZUQBQGTXHPMREK-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-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112543405
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543725
methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112542976
methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate
CID 112543285
methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543225
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate (CID 112543245) is methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate is COC(=O)NC1CC(C(C)O)CN(C(=O)CC(C)C)C1.
What is the InChIKey of methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate?
The InChIKey is ZUQBQGTXHPMREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)5-13(18)16-7-11(10(3)17)6-12(8-16)15-14(19)20-4/h9-12,17H,5-8H2,1-4H3,(H,15,19).
What are the key properties of methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate?
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)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-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).