methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate

C9H17N3O3 — CID 112543161

IUPACmethyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CC(C)CN(C(N)=O)C1
InChIInChI=1S/C9H17N3O3/c1-6-3-7(11-9(14)15-2)5-12(4-6)8(10)13/h6-7H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyPKMAKYXXSIENKX-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.13
Rot. Bonds1

About methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate

methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate (PubChem CID 112543161) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
PubChem CID112543161
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Namemethyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CC(C)CN(C(N)=O)C1
InChIInChI=1S/C9H17N3O3/c1-6-3-7(11-9(14)15-2)5-12(4-6)8(10)13/h6-7H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyPKMAKYXXSIENKX-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-(1-carbamoyl-5-methylpiperidin-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 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175
3-(cyclobutylmethylamino)-5-methylpiperidine-1-carboxamide
CID 83997098
methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112543811
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814
dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate
CID 123157765
tert-butyl (3S,5R)-3-methyl-5-(2,2,2-trichloroethoxycarbonylamino)piperidine-1-carboxylate
CID 143793103
ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
CID 112544454
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
3-(methoxycarbonylamino)piperidine-1-carboxylic acid
CID 174735066

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate?
The IUPAC name of methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate (CID 112543161) is methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate?
The canonical SMILES for methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate is COC(=O)NC1CC(C)CN(C(N)=O)C1.
What is the InChIKey of methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate?
The InChIKey is PKMAKYXXSIENKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6-3-7(11-9(14)15-2)5-12(4-6)8(10)13/h6-7H,3-5H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate?
methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate has a molecular weight of 215.25 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).