methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate

C14H26N2O3 — CID 112543405

IUPACmethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(C(C)O)CN(C2CCC2C)C1
InChIInChI=1S/C14H26N2O3/c1-9-4-5-13(9)16-7-11(10(2)17)6-12(8-16)15-14(18)19-3/h9-13,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyOVLDTXSKJDVSQI-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.21
Rot. Bonds3

About methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate

methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate (PubChem CID 112543405) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
PubChem CID112543405
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(C(C)O)CN(C2CCC2C)C1
InChIInChI=1S/C14H26N2O3/c1-9-4-5-13(9)16-7-11(10(2)17)6-12(8-16)15-14(18)19-3/h9-13,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyOVLDTXSKJDVSQI-UHFFFAOYSA-N
XLogP1.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544046
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate
CID 112543285
N-[5-ethyl-1-(2-methylcyclobutyl)piperidin-3-yl]-2-methylpropanamide
CID 112542854
1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83996673
methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112542976
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544038
tert-butyl N-[1-(cyanomethyl)-5-(1-hydroxyethyl)piperidin-3-yl]carbamate
CID 112544813
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542393
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate (CID 112543405) is methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate is COC(=O)NC1CC(C(C)O)CN(C2CCC2C)C1.
What is the InChIKey of methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate?
The InChIKey is OVLDTXSKJDVSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9-4-5-13(9)16-7-11(10(2)17)6-12(8-16)15-14(18)19-3/h9-13,17H,4-8H2,1-3H3,(H,15,18).
What are the key properties of methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate?
methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.21, 3 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-(2-methylcyclobutyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).