4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide

C20H31N3O3 — CID 120622838

IUPAC4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)CCNCC1
InChIInChI=1S/C20H31N3O3/c1-14-10-15(2)18(16(3)11-14)22-17(24)12-23(4)19(25)20(13-26-5)6-8-21-9-7-20/h10-11,21H,6-9,12-13H2,1-5H3,(H,22,24)
InChIKeyIXFBYIYRKOTSEF-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.02
Rot. Bonds6

About 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide (PubChem CID 120622838) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
PubChem CID120622838
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)CCNCC1
InChIInChI=1S/C20H31N3O3/c1-14-10-15(2)18(16(3)11-14)22-17(24)12-23(4)19(25)20(13-26-5)6-8-21-9-7-20/h10-11,21H,6-9,12-13H2,1-5H3,(H,22,24)
InChIKeyIXFBYIYRKOTSEF-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 119291391
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119291380
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
CID 119291399
1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 39094433
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120624655
methyl N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]carbamate
CID 75415569
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119930334
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727188
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119914877

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide (CID 120622838) is 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide is COCC1(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is IXFBYIYRKOTSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14-10-15(2)18(16(3)11-14)22-17(24)12-23(4)19(25)20(13-26-5)6-8-21-9-7-20/h10-11,21H,6-9,12-13H2,1-5H3,(H,22,24).
What are the key properties of 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120622838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).