N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

C17H29Cl2N3O2 — CID 119864927

IUPACN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN(C)CCOc1ccccc1CNC(=O)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-20(2)10-11-22-16-8-4-3-6-14(16)13-19-17(21)15-7-5-9-18-12-15;;/h3-4,6,8,15,18H,5,7,9-13H2,1-2H3,(H,19,21);2*1H
InChIKeyUMZJHWSJUIGELZ-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.09
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119864927) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119864927
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN(C)CCOc1ccccc1CNC(=O)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-20(2)10-11-22-16-8-4-3-6-14(16)13-19-17(21)15-7-5-9-18-12-15;;/h3-4,6,8,15,18H,5,7,9-13H2,1-2H3,(H,19,21);2*1H
InChIKeyUMZJHWSJUIGELZ-UHFFFAOYSA-N
XLogP2.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119317016
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119274437
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
(2S,5R)-5-(aminomethyl)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]oxolane-2-carboxamide
CID 120799112

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (CID 119864927) is N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is CN(C)CCOc1ccccc1CNC(=O)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is UMZJHWSJUIGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-20(2)10-11-22-16-8-4-3-6-14(16)13-19-17(21)15-7-5-9-18-12-15;;/h3-4,6,8,15,18H,5,7,9-13H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119864927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).