N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride

C16H24ClN3O3 — CID 119284224

IUPACN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)COc1cccc(NC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-19(2)15(20)11-22-13-7-5-6-12(10-13)18-16(21)14-8-3-4-9-17-14;/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3,(H,18,21);1H
InChIKeyGPXJRMLHSIOEHG-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.66
Rot. Bonds5

About N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119284224) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119284224
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)COc1cccc(NC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-19(2)15(20)11-22-13-7-5-6-12(10-13)18-16(21)14-8-3-4-9-17-14;/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3,(H,18,21);1H
InChIKeyGPXJRMLHSIOEHG-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
CID 119283191
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846086
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride (CID 119284224) is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride is CN(C)C(=O)COc1cccc(NC(=O)C2CCCCN2)c1.Cl.
What is the InChIKey of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is GPXJRMLHSIOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-19(2)15(20)11-22-13-7-5-6-12(10-13)18-16(21)14-8-3-4-9-17-14;/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3,(H,18,21);1H.
What are the key properties of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride?
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119284224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).