N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C21H34ClN3O2 — CID 119727174

IUPACN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)CC(C)C2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-14-9-16(3)21(17(4)10-14)23-19(25)13-24(5)20(26)11-15(2)18-7-6-8-22-12-18;/h9-10,15,18,22H,6-8,11-13H2,1-5H3,(H,23,25);1H
InChIKeyZYIDUKOQFSXDOU-UHFFFAOYSA-N
MW395.98 g/mol
LogP3.46
Rot. Bonds6

About N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119727174) has the molecular formula C21H34ClN3O2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119727174
Molecular FormulaC21H34ClN3O2
Molecular Weight395.98 g/mol
Exact Mass395.23
IUPAC NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)CC(C)C2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-14-9-16(3)21(17(4)10-14)23-19(25)13-24(5)20(26)11-15(2)18-7-6-8-22-12-18;/h9-10,15,18,22H,6-8,11-13H2,1-5H3,(H,23,25);1H
InChIKeyZYIDUKOQFSXDOU-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride with MolForge

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Related Compounds

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727188
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119697247
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
CID 119291399
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119291380
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119818677
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119727174) is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1cc(C)c(NC(=O)CN(C)C(=O)CC(C)C2CCCNC2)c(C)c1.Cl.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is ZYIDUKOQFSXDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.ClH/c1-14-9-16(3)21(17(4)10-14)23-19(25)13-24(5)20(26)11-15(2)18-7-6-8-22-12-18;/h9-10,15,18,22H,6-8,11-13H2,1-5H3,(H,23,25);1H.
What are the key properties of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 3.46, 6 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]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119727174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).