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

C18H28ClN3O2 — CID 119291380

IUPACN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12-9-13(2)17(14(3)10-12)20-16(22)11-21(4)18(23)15-5-7-19-8-6-15;/h9-10,15,19H,5-8,11H2,1-4H3,(H,20,22);1H
InChIKeySRAWVCWULUUHHD-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.43
Rot. Bonds4

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

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119291380) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119291380
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12-9-13(2)17(14(3)10-12)20-16(22)11-21(4)18(23)15-5-7-19-8-6-15;/h9-10,15,19H,5-8,11H2,1-4H3,(H,20,22);1H
InChIKeySRAWVCWULUUHHD-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
CID 119291399
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119930334
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727188
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119269157
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 119727180
4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 120622838
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672752
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119272093

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride (CID 119291380) is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride is Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CCNCC2)c(C)c1.Cl.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is SRAWVCWULUUHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-12-9-13(2)17(14(3)10-12)20-16(22)11-21(4)18(23)15-5-7-19-8-6-15;/h9-10,15,19H,5-8,11H2,1-4H3,(H,20,22);1H.
What are the key properties of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119291380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).