[4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate

C9H17N3O3 — CID 175278143

IUPAC[4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate
SMILESCNC(=O)N1CCC(C)(OC(N)=O)CC1
InChIInChI=1S/C9H17N3O3/c1-9(15-7(10)13)3-5-12(6-4-9)8(14)11-2/h3-6H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyGWMCQAQHXVNKQA-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.28
Rot. Bonds1

About [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate

[4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate (PubChem CID 175278143) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate
PubChem CID175278143
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name[4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate
SMILESCNC(=O)N1CCC(C)(OC(N)=O)CC1
InChIInChI=1S/C9H17N3O3/c1-9(15-7(10)13)3-5-12(6-4-9)8(14)11-2/h3-6H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyGWMCQAQHXVNKQA-UHFFFAOYSA-N
XLogP0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-acetyl-3-methylpyrrolidin-3-yl) carbamate
CID 175411434
[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate
CID 175278128
methyl 4-hydroxy-1-(methylcarbamoyl)piperidine-4-carboxylate
CID 90067056
(4-methyloxan-4-yl) carbamate
CID 141404618
N-methyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 155067147
2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 170011341
(1-methylcyclohexyl) carbamate;(1-methylcyclohexyl)carbamic acid
CID 175741897
3,3-diethyl-N-methylpyrrolidine-1-carboxamide
CID 115686572
3-hydroxy-N,3-dimethylpiperidine-1-carboxamide
CID 115872031
N-methyl-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 146624355
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
N,4,4-trimethylpiperazin-4-ium-1-carboxamide
CID 20728475

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate?
The IUPAC name of [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate (CID 175278143) is [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate.
What is the SMILES notation for [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate?
The canonical SMILES for [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate is CNC(=O)N1CCC(C)(OC(N)=O)CC1.
What is the InChIKey of [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate?
The InChIKey is GWMCQAQHXVNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(15-7(10)13)3-5-12(6-4-9)8(14)11-2/h3-6H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate?
[4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate has a molecular weight of 215.25 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(methylcarbamoyl)piperidin-4-yl] carbamate is sourced from PubChem (CID 175278143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).