methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate

C9H16N2O3 — CID 54147473

IUPACmethyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(CC=O)CC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)10-8-2-4-11(5-3-8)6-7-12/h7-8H,2-6H2,1H3,(H,10,13)
InChIKeyMTKQACCSAWJSFY-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.01
Rot. Bonds3

About methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate

methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate (PubChem CID 54147473) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate
PubChem CID54147473
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(CC=O)CC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)10-8-2-4-11(5-3-8)6-7-12/h7-8H,2-6H2,1H3,(H,10,13)
InChIKeyMTKQACCSAWJSFY-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 106932880
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
methyl N-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]carbamate
CID 113402602
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
CID 113402427
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
methyl N-(1-formylpiperidin-3-yl)carbamate
CID 145026551

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate (CID 54147473) is methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(CC=O)CC1.
What is the InChIKey of methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate?
The InChIKey is MTKQACCSAWJSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-9(13)10-8-2-4-11(5-3-8)6-7-12/h7-8H,2-6H2,1H3,(H,10,13).
What are the key properties of methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate?
methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-oxoethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 54147473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).