methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate

C12H22N2O3 — CID 51082062

IUPACmethyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate
SMILESCCC1CCCN(C(=O)CN(C)C(=O)OC)C1
InChIInChI=1S/C12H22N2O3/c1-4-10-6-5-7-14(8-10)11(15)9-13(2)12(16)17-3/h10H,4-9H2,1-3H3
InChIKeyOLSGXAWDCVIWRX-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.33
Rot. Bonds3

About methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate

methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate (PubChem CID 51082062) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate
PubChem CID51082062
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate
SMILESCCC1CCCN(C(=O)CN(C)C(=O)OC)C1
InChIInChI=1S/C12H22N2O3/c1-4-10-6-5-7-14(8-10)11(15)9-13(2)12(16)17-3/h10H,4-9H2,1-3H3
InChIKeyOLSGXAWDCVIWRX-UHFFFAOYSA-N
XLogP1.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
methyl 1-[2-[acetyl(methyl)amino]acetyl]piperidine-3-carboxylate
CID 78919197
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
N-(2-aminoethyl)-3-ethyl-N-methylpiperidine-1-carboxamide
CID 82508730
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
2-(4-aminopiperidin-1-yl)-1-(3-ethylpiperidin-1-yl)ethanone
CID 79327467
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 86981185
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176994

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate (CID 51082062) is methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate is CCC1CCCN(C(=O)CN(C)C(=O)OC)C1.
What is the InChIKey of methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is OLSGXAWDCVIWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-10-6-5-7-14(8-10)11(15)9-13(2)12(16)17-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate?
methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 242.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 51082062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).