methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate

C15H30N2O3 — CID 112543133

IUPACmethyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(CC(O)C(C)C)CN(C(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-10(2)14(18)7-12-6-13(16-15(19)20-5)9-17(8-12)11(3)4/h10-14,18H,6-9H2,1-5H3,(H,16,19)
InChIKeyNJXMKSDLXDXCOI-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.85
Rot. Bonds5

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

methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate (PubChem CID 112543133) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
PubChem CID112543133
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(CC(O)C(C)C)CN(C(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-10(2)14(18)7-12-6-13(16-15(19)20-5)9-17(8-12)11(3)4/h10-14,18H,6-9H2,1-5H3,(H,16,19)
InChIKeyNJXMKSDLXDXCOI-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543205
methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543038
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate
CID 112543128
1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997066
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83989078
methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000
2-methyl-N-(1-propan-2-yl-5-propylpiperidin-3-yl)propanamide
CID 112542636
1-[3-(2-hydroxy-3-methylbutyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989746
methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543225
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate (CID 112543133) is methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate is COC(=O)NC1CC(CC(O)C(C)C)CN(C(C)C)C1.
What is the InChIKey of methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate?
The InChIKey is NJXMKSDLXDXCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(2)14(18)7-12-6-13(16-15(19)20-5)9-17(8-12)11(3)4/h10-14,18H,6-9H2,1-5H3,(H,16,19).
What are the key properties of methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate?
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).