N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

C21H35Cl2N3O — CID 119848767

IUPACN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)C2CCCNC2)C1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-16-10-17(2)14-24(13-16)15-20-7-4-3-6-18(20)12-23-21(25)19-8-5-9-22-11-19;;/h3-4,6-7,16-17,19,22H,5,8-15H2,1-2H3,(H,23,25);2*1H
InChIKeyGSEQMRXRAWILHM-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.62
Rot. Bonds5

About N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119848767) has the molecular formula C21H35Cl2N3O and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119848767
Molecular FormulaC21H35Cl2N3O
Molecular Weight416.44 g/mol
Exact Mass415.22
IUPAC NameN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)C2CCCNC2)C1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-16-10-17(2)14-24(13-16)15-20-7-4-3-6-18(20)12-23-21(25)19-8-5-9-22-11-19;;/h3-4,6-7,16-17,19,22H,5,8-15H2,1-2H3,(H,23,25);2*1H
InChIKeyGSEQMRXRAWILHM-UHFFFAOYSA-N
XLogP3.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848773
(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124726117
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 99845338
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 119863481
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119864927

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (CID 119848767) is N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is CC1CC(C)CN(Cc2ccccc2CNC(=O)C2CCCNC2)C1.Cl.Cl.
What is the InChIKey of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is GSEQMRXRAWILHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.2ClH/c1-16-10-17(2)14-24(13-16)15-20-7-4-3-6-18(20)12-23-21(25)19-8-5-9-22-11-19;;/h3-4,6-7,16-17,19,22H,5,8-15H2,1-2H3,(H,23,25);2*1H.
What are the key properties of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 416.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119848767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).