N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119312039

IUPACN-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
SMILESCCc1cccc(NC(=O)CNC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-12-6-5-7-13(10-12)19-15(20)11-18-16(21)14-8-3-4-9-17-14;/h5-7,10,14,17H,2-4,8-9,11H2,1H3,(H,18,21)(H,19,20);1H
InChIKeySWHTXNAKECQAFS-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride

N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119312039) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119312039
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
SMILESCCc1cccc(NC(=O)CNC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-12-6-5-7-13(10-12)19-15(20)11-18-16(21)14-8-3-4-9-17-14;/h5-7,10,14,17H,2-4,8-9,11H2,1H3,(H,18,21)(H,19,20);1H
InChIKeySWHTXNAKECQAFS-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119302426
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
N-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 119305288
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119312487
(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119874536
(2S,5R)-5-(aminomethyl)-N-[2-(3-ethylanilino)-2-oxoethyl]oxolane-2-carboxamide;hydrochloride
CID 120791103
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride (CID 119312039) is N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride is CCc1cccc(NC(=O)CNC(=O)C2CCCCN2)c1.Cl.
What is the InChIKey of N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is SWHTXNAKECQAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-2-12-6-5-7-13(10-12)19-15(20)11-18-16(21)14-8-3-4-9-17-14;/h5-7,10,14,17H,2-4,8-9,11H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride?
N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119312039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).