N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride

C21H35Cl2N3O — CID 119895524

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1CC(C)N(Cc2ccccc2)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-16(19-8-10-22-11-9-19)12-21(25)23-20-13-17(2)24(15-20)14-18-6-4-3-5-7-18;;/h3-7,16-17,19-20,22H,8-15H2,1-2H3,(H,23,25);2*1H
InChIKeySTJQBLXCUVEHGW-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.63
Rot. Bonds6

About N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride

N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119895524) has the molecular formula C21H35Cl2N3O and a molecular weight of 416.44 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119895524
Molecular FormulaC21H35Cl2N3O
Molecular Weight416.44 g/mol
Exact Mass415.22
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1CC(C)N(Cc2ccccc2)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-16(19-8-10-22-11-9-19)12-21(25)23-20-13-17(2)24(15-20)14-18-6-4-3-5-7-18;;/h3-7,16-17,19-20,22H,8-15H2,1-2H3,(H,23,25);2*1H
InChIKeySTJQBLXCUVEHGW-UHFFFAOYSA-N
XLogP3.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
1-amino-N-(1-benzyl-5-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119895468
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119775867

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119895524) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NC1CC(C)N(Cc2ccccc2)C1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is STJQBLXCUVEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.2ClH/c1-16(19-8-10-22-11-9-19)12-21(25)23-20-13-17(2)24(15-20)14-18-6-4-3-5-7-18;;/h3-7,16-17,19-20,22H,8-15H2,1-2H3,(H,23,25);2*1H.
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 416.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119895524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).