N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride

C21H35Cl2N3O2 — CID 119883087

IUPACN-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)N(C)C2CCN(Cc3ccccc3)C(C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H33N3O2.2ClH/c1-17-15-19(9-14-24(17)16-18-7-5-4-6-8-18)23(2)20(25)21(26-3)10-12-22-13-11-21;;/h4-8,17,19,22H,9-16H2,1-3H3;2*1H
InChIKeyWTFBYSVSSRJIHU-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.11
Rot. Bonds5

About N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride

N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 119883087) has the molecular formula C21H35Cl2N3O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID119883087
Molecular FormulaC21H35Cl2N3O2
Molecular Weight432.44 g/mol
Exact Mass431.21
IUPAC NameN-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)N(C)C2CCN(Cc3ccccc3)C(C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H33N3O2.2ClH/c1-17-15-19(9-14-24(17)16-18-7-5-4-6-8-18)23(2)20(25)21(26-3)10-12-22-13-11-21;;/h4-8,17,19,22H,9-16H2,1-3H3;2*1H
InChIKeyWTFBYSVSSRJIHU-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119878310
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982758
N-cyclopropyl-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119722184
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 124693294
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053
(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
CID 120941555
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride
CID 119883047

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride (CID 119883087) is N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)N(C)C2CCN(Cc3ccccc3)C(C)C2)CCNCC1.Cl.Cl.
What is the InChIKey of N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is WTFBYSVSSRJIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.2ClH/c1-17-15-19(9-14-24(17)16-18-7-5-4-6-8-18)23(2)20(25)21(26-3)10-12-22-13-11-21;;/h4-8,17,19,22H,9-16H2,1-3H3;2*1H.
What are the key properties of N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119883087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).