N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride

C25H35Cl2N3O — CID 142636639

IUPACN-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride
SMILESCC(=O)NC1(c2ccccc2)CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1.Cl.Cl
InChIInChI=1S/C25H33N3O.2ClH/c1-20(29)27-25(22-10-6-3-7-11-22)13-16-28(17-14-25)24-12-15-26-23(19-24)18-21-8-4-2-5-9-21;;/h2-11,23-24,26H,12-19H2,1H3,(H,27,29);2*1H/t23-,24+;;/m0../s1
InChIKeyVEYLOTXJZBMKES-MOTLJVIHSA-N
MW464.48 g/mol
LogP4.32
Rot. Bonds5

About N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride

N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride (PubChem CID 142636639) has the molecular formula C25H35Cl2N3O and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride
PubChem CID142636639
Molecular FormulaC25H35Cl2N3O
Molecular Weight464.48 g/mol
Exact Mass463.22
IUPAC NameN-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride
SMILESCC(=O)NC1(c2ccccc2)CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1.Cl.Cl
InChIInChI=1S/C25H33N3O.2ClH/c1-20(29)27-25(22-10-6-3-7-11-22)13-16-28(17-14-25)24-12-15-26-23(19-24)18-21-8-4-2-5-9-21;;/h2-11,23-24,26H,12-19H2,1H3,(H,27,29);2*1H/t23-,24+;;/m0../s1
InChIKeyVEYLOTXJZBMKES-MOTLJVIHSA-N
XLogP4.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-benzyl-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide
CID 18319930
2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 86619162
N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide
CID 20752804
3-[1-[(2S,4R)-2-benzylpiperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 131722251
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine
CID 64952857
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
(2R,4R)-2,4-dibenzylpiperidine
CID 101092769
N-[4-(4-benzylpiperidin-1-yl)-1-phenylcyclohexyl]-2-[3,5-bis(2,2,2-trifluoroethyl)phenyl]propanamide
CID 21050499
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
dimethyl 2-benzylpiperidine-4,4-dicarboxylate
CID 162768511

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride (CID 142636639) is N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride is CC(=O)NC1(c2ccccc2)CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1.Cl.Cl.
What is the InChIKey of N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride?
The InChIKey is VEYLOTXJZBMKES-MOTLJVIHSA-N. The full InChI is InChI=1S/C25H33N3O.2ClH/c1-20(29)27-25(22-10-6-3-7-11-22)13-16-28(17-14-25)24-12-15-26-23(19-24)18-21-8-4-2-5-9-21;;/h2-11,23-24,26H,12-19H2,1H3,(H,27,29);2*1H/t23-,24+;;/m0../s1.
What are the key properties of N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride?
N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 464.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 142636639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).