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

C23H39Cl2N3O — CID 119889796

IUPACN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1C(C)CN(Cc2ccccc2)CC1C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C23H37N3O.2ClH/c1-17(21-9-11-24-12-10-21)13-22(27)25-23-18(2)14-26(15-19(23)3)16-20-7-5-4-6-8-20;;/h4-8,17-19,21,23-24H,9-16H2,1-3H3,(H,25,27);2*1H
InChIKeyRGLXMVKORCSKEH-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.13
Rot. Bonds6

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

N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119889796) has the molecular formula C23H39Cl2N3O and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119889796
Molecular FormulaC23H39Cl2N3O
Molecular Weight444.49 g/mol
Exact Mass443.25
IUPAC NameN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1C(C)CN(Cc2ccccc2)CC1C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C23H37N3O.2ClH/c1-17(21-9-11-24-12-10-21)13-22(27)25-23-18(2)14-26(15-19(23)3)16-20-7-5-4-6-8-20;;/h4-8,17-19,21,23-24H,9-16H2,1-3H3,(H,25,27);2*1H
InChIKeyRGLXMVKORCSKEH-UHFFFAOYSA-N
XLogP4.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119895524
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 119953982
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119872755
N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
CID 97092752
N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
CID 97092747
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772626
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119889796) is N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NC1C(C)CN(Cc2ccccc2)CC1C)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is RGLXMVKORCSKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O.2ClH/c1-17(21-9-11-24-12-10-21)13-22(27)25-23-18(2)14-26(15-19(23)3)16-20-7-5-4-6-8-20;;/h4-8,17-19,21,23-24H,9-16H2,1-3H3,(H,25,27);2*1H.
What are the key properties of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride?
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 444.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 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)-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119889796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).