N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide

C18H27N3O2 — CID 119291399

IUPACN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CCCNC2)c(C)c1
InChIInChI=1S/C18H27N3O2/c1-12-8-13(2)17(14(3)9-12)20-16(22)11-21(4)18(23)15-6-5-7-19-10-15/h8-9,15,19H,5-7,10-11H2,1-4H3,(H,20,22)
InChIKeySRXPYJKXMUMUGB-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.01
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide (PubChem CID 119291399) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
PubChem CID119291399
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CCCNC2)c(C)c1
InChIInChI=1S/C18H27N3O2/c1-12-8-13(2)17(14(3)9-12)20-16(22)11-21(4)18(23)15-6-5-7-19-10-15/h8-9,15,19H,5-7,10-11H2,1-4H3,(H,20,22)
InChIKeySRXPYJKXMUMUGB-UHFFFAOYSA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.01
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-4-carboxamide;hydrochloride
CID 119291380
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119727174
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119267757
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 43579066
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide (CID 119291399) is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CCCNC2)c(C)c1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide?
The InChIKey is SRXPYJKXMUMUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-8-13(2)17(14(3)9-12)20-16(22)11-21(4)18(23)15-6-5-7-19-10-15/h8-9,15,19H,5-7,10-11H2,1-4H3,(H,20,22).
What are the key properties of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide?
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.01, 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-3-carboxamide is sourced from PubChem (CID 119291399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).