7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride

C22H39Cl2N3O — CID 119900575

IUPAC7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride
SMILESCC1CN(Cc2ccccc2)CC(C)C1N(C)C(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C22H37N3O.2ClH/c1-18-15-25(17-20-11-7-6-8-12-20)16-19(2)22(18)24(3)21(26)13-9-4-5-10-14-23;;/h6-8,11-12,18-19,22H,4-5,9-10,13-17,23H2,1-3H3;2*1H
InChIKeyWNRAAYKNECLTEG-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.35
Rot. Bonds9

About 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride

7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride (PubChem CID 119900575) has the molecular formula C22H39Cl2N3O and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride
PubChem CID119900575
Molecular FormulaC22H39Cl2N3O
Molecular Weight432.48 g/mol
Exact Mass431.25
IUPAC Name7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride
SMILESCC1CN(Cc2ccccc2)CC(C)C1N(C)C(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C22H37N3O.2ClH/c1-18-15-25(17-20-11-7-6-8-12-20)16-19(2)22(18)24(3)21(26)13-9-4-5-10-14-23;;/h6-8,11-12,18-19,22H,4-5,9-10,13-17,23H2,1-3H3;2*1H
InChIKeyWNRAAYKNECLTEG-UHFFFAOYSA-N
XLogP4.35
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide
CID 97092735
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride
CID 119900615
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
CID 119900601
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
CID 119900588
N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide
CID 3932380

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride (CID 119900575) is 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride is CC1CN(Cc2ccccc2)CC(C)C1N(C)C(=O)CCCCCCN.Cl.Cl.
What is the InChIKey of 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride?
The InChIKey is WNRAAYKNECLTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O.2ClH/c1-18-15-25(17-20-11-7-6-8-12-20)16-19(2)22(18)24(3)21(26)13-9-4-5-10-14-23;;/h6-8,11-12,18-19,22H,4-5,9-10,13-17,23H2,1-3H3;2*1H.
What are the key properties of 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride?
7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride has a molecular weight of 432.48 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride is sourced from PubChem (CID 119900575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).