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

C21H35Cl2N3O — CID 119848773

IUPAC(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-16-11-17(2)14-24(13-16)15-19-8-4-3-7-18(19)12-23-21(25)20-9-5-6-10-22-20;;/h3-4,7-8,16-17,20,22H,5-6,9-15H2,1-2H3,(H,23,25);2*1H/t16?,17?,20-;;/m1../s1
InChIKeyBBZWLZKQPXROEQ-DQACXEELSA-N
MW416.44 g/mol
LogP3.77
Rot. Bonds5

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

(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119848773) has the molecular formula C21H35Cl2N3O and a molecular weight of 416.44 g/mol. Its IUPAC name is (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119848773
Molecular FormulaC21H35Cl2N3O
Molecular Weight416.44 g/mol
Exact Mass415.22
IUPAC Name(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-16-11-17(2)14-24(13-16)15-19-8-4-3-7-18(19)12-23-21(25)20-9-5-6-10-22-20;;/h3-4,7-8,16-17,20,22H,5-6,9-15H2,1-2H3,(H,23,25);2*1H/t16?,17?,20-;;/m1../s1
InChIKeyBBZWLZKQPXROEQ-DQACXEELSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124726117
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124695969
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride (CID 119848773) is (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride is CC1CC(C)CN(Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1.Cl.Cl.
What is the InChIKey of (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is BBZWLZKQPXROEQ-DQACXEELSA-N. The full InChI is InChI=1S/C21H33N3O.2ClH/c1-16-11-17(2)14-24(13-16)15-19-8-4-3-7-18(19)12-23-21(25)20-9-5-6-10-22-20;;/h3-4,7-8,16-17,20,22H,5-6,9-15H2,1-2H3,(H,23,25);2*1H/t16?,17?,20-;;/m1../s1.
What are the key properties of (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 416.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119848773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).