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

C17H26ClN3O2 — CID 119269157

IUPACN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CNC(=O)C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11-8-12(2)16(13(3)9-11)20-15(21)10-19-17(22)14-4-6-18-7-5-14;/h8-9,14,18H,4-7,10H2,1-3H3,(H,19,22)(H,20,21);1H
InChIKeyHUTZVQVCPSMMTC-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.09
Rot. Bonds4

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

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119269157) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119269157
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CNC(=O)C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11-8-12(2)16(13(3)9-11)20-15(21)10-19-17(22)14-4-6-18-7-5-14;/h8-9,14,18H,4-7,10H2,1-3H3,(H,19,22)(H,20,21);1H
InChIKeyHUTZVQVCPSMMTC-UHFFFAOYSA-N
XLogP2.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 120617822
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119291380
5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112761773
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
2-piperidin-4-yloxy-N-(2,4,6-trimethylphenyl)acetamide
CID 39062816
2-[methyl(piperidin-4-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119930334
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119269152
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727188

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride (CID 119269157) is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride is Cc1cc(C)c(NC(=O)CNC(=O)C2CCNCC2)c(C)c1.Cl.
What is the InChIKey of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HUTZVQVCPSMMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-11-8-12(2)16(13(3)9-11)20-15(21)10-19-17(22)14-4-6-18-7-5-14;/h8-9,14,18H,4-7,10H2,1-3H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119269157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).