N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride

C20H35Cl2N3O — CID 119900601

IUPACN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)N(C)C1C(C)CN(Cc2ccccc2)CC1C.Cl.Cl
InChIInChI=1S/C20H33N3O.2ClH/c1-15(11-21-4)20(24)22(5)19-16(2)12-23(13-17(19)3)14-18-9-7-6-8-10-18;;/h6-10,15-17,19,21H,11-14H2,1-5H3;2*1H
InChIKeyDOXWTIZSNYNSHG-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.30
Rot. Bonds6

About N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride

N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119900601) has the molecular formula C20H35Cl2N3O and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119900601
Molecular FormulaC20H35Cl2N3O
Molecular Weight404.43 g/mol
Exact Mass403.22
IUPAC NameN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)N(C)C1C(C)CN(Cc2ccccc2)CC1C.Cl.Cl
InChIInChI=1S/C20H33N3O.2ClH/c1-15(11-21-4)20(24)22(5)19-16(2)12-23(13-17(19)3)14-18-9-7-6-8-10-18;;/h6-10,15-17,19,21H,11-14H2,1-5H3;2*1H
InChIKeyDOXWTIZSNYNSHG-UHFFFAOYSA-N
XLogP3.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide
CID 97092735
7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride
CID 119900575
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride
CID 119900615
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
CID 119900588
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902437
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(3S,4R)-1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67998457
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride (CID 119900601) is N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)N(C)C1C(C)CN(Cc2ccccc2)CC1C.Cl.Cl.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is DOXWTIZSNYNSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.2ClH/c1-15(11-21-4)20(24)22(5)19-16(2)12-23(13-17(19)3)14-18-9-7-6-8-10-18;;/h6-10,15-17,19,21H,11-14H2,1-5H3;2*1H.
What are the key properties of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride?
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 404.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119900601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).