ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate

C10H18N2O3 — CID 61067923

IUPACethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C10H18N2O3/c1-3-15-10(14)12-6-8(9(11)13)5-4-7(12)2/h7-8H,3-6H2,1-2H3,(H2,11,13)
InChIKeyVJAXFQDLEDUZOI-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.73
Rot. Bonds2

About ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate

ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate (PubChem CID 61067923) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
PubChem CID61067923
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C10H18N2O3/c1-3-15-10(14)12-6-8(9(11)13)5-4-7(12)2/h7-8H,3-6H2,1-2H3,(H2,11,13)
InChIKeyVJAXFQDLEDUZOI-UHFFFAOYSA-N
XLogP0.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
CID 61173936
1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
CID 54875909
1-N-cyclopropyl-6-methylpiperidine-1,3-dicarboxamide
CID 115635337
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841
1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 62727603
(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide
CID 95584899
1-[2-(N'-hydroxycarbamimidoyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 76925260
1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
CID 113416223
3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897663

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate (CID 61067923) is ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate is CCOC(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate?
The InChIKey is VJAXFQDLEDUZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-15-10(14)12-6-8(9(11)13)5-4-7(12)2/h7-8H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate?
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 61067923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).