methylcarbamoyl 1-ethylpiperidine-4-carboxylate

C10H18N2O3 — CID 135151937

IUPACmethylcarbamoyl 1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(C(=O)OC(=O)NC)CC1
InChIInChI=1S/C10H18N2O3/c1-3-12-6-4-8(5-7-12)9(13)15-10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyWAQBROIUAZYZOE-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.60
Rot. Bonds2

About methylcarbamoyl 1-ethylpiperidine-4-carboxylate

methylcarbamoyl 1-ethylpiperidine-4-carboxylate (PubChem CID 135151937) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methylcarbamoyl 1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethylcarbamoyl 1-ethylpiperidine-4-carboxylate
PubChem CID135151937
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethylcarbamoyl 1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(C(=O)OC(=O)NC)CC1
InChIInChI=1S/C10H18N2O3/c1-3-12-6-4-8(5-7-12)9(13)15-10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyWAQBROIUAZYZOE-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 2757240
Tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate
CID 3365779
Methyl 1-(butylcarbamoyl)piperidine-4-carboxylate
CID 6461551
Methyl 1-(3-aminopropyl)piperidine-4-carboxylate
CID 39870355
N-Butyl 1-boc-piperidine-4-carboxamide
CID 4565153
Methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate
CID 10514312
Methyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692172
Ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
Aminomethyl piperidine-4-carboxylate
CID 23199639
N-Ethyl 1-BOC-piperidine-4-carboxamide
CID 24689194
tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate
CID 24689233
4-Isobutylcarbamoyl-piperidine-1-carboxylic acid tert-butyl ester
CID 24689358

Frequently Asked Questions

What is the IUPAC name of methylcarbamoyl 1-ethylpiperidine-4-carboxylate?
The IUPAC name of methylcarbamoyl 1-ethylpiperidine-4-carboxylate (CID 135151937) is methylcarbamoyl 1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for methylcarbamoyl 1-ethylpiperidine-4-carboxylate?
The canonical SMILES for methylcarbamoyl 1-ethylpiperidine-4-carboxylate is CCN1CCC(C(=O)OC(=O)NC)CC1.
What is the InChIKey of methylcarbamoyl 1-ethylpiperidine-4-carboxylate?
The InChIKey is WAQBROIUAZYZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-12-6-4-8(5-7-12)9(13)15-10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of methylcarbamoyl 1-ethylpiperidine-4-carboxylate?
methylcarbamoyl 1-ethylpiperidine-4-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamoyl 1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 135151937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).