N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119335151

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C1CCCCN1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-4-21(18(23)15-10-5-6-11-19-15)12-16(22)20-17-13(2)8-7-9-14(17)3;/h7-9,15,19H,4-6,10-12H2,1-3H3,(H,20,22);1H
InChIKeyACLDJUWXTOIINS-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119335151) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
PubChem CID119335151
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C1CCCCN1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-4-21(18(23)15-10-5-6-11-19-15)12-16(22)20-17-13(2)8-7-9-14(17)3;/h7-9,15,19H,4-6,10-12H2,1-3H3,(H,20,22);1H
InChIKeyACLDJUWXTOIINS-UHFFFAOYSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119292397
(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119729072
(2S)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 93367971
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-hydroxycyclopentane-1-carboxamide
CID 110015978
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
CID 64562791
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
(2S,5R)-5-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyloxolane-2-carboxamide;hydrochloride
CID 120794955
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride (CID 119335151) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride is CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C1CCCCN1.Cl.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is ACLDJUWXTOIINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-4-21(18(23)15-10-5-6-11-19-15)12-16(22)20-17-13(2)8-7-9-14(17)3;/h7-9,15,19H,4-6,10-12H2,1-3H3,(H,20,22);1H.
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119335151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).