1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride

C24H40Cl2N4O — CID 154899721

IUPAC1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCC1CCCN(C2CCNCC2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H38N4O.2ClH/c29-24(27-17-15-26(16-18-27)19-21-5-2-1-3-6-21)9-8-22-7-4-14-28(20-22)23-10-12-25-13-11-23;;/h1-3,5-6,22-23,25H,4,7-20H2;2*1H
InChIKeyWXYGAPOJOPQRJW-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride

1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride (PubChem CID 154899721) has the molecular formula C24H40Cl2N4O and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride
PubChem CID154899721
Molecular FormulaC24H40Cl2N4O
Molecular Weight471.52 g/mol
Exact Mass470.26
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCC1CCCN(C2CCNCC2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H38N4O.2ClH/c29-24(27-17-15-26(16-18-27)19-21-5-2-1-3-6-21)9-8-22-7-4-14-28(20-22)23-10-12-25-13-11-23;;/h1-3,5-6,22-23,25H,4,7-20H2;2*1H
InChIKeyWXYGAPOJOPQRJW-UHFFFAOYSA-N
XLogP3.42
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride with MolForge

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Related Compounds

1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-3-cyclopentylpropan-1-one;oxalic acid
CID 90483423
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1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
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1-(4-benzylpiperidin-1-yl)-3-(1-piperidin-4-ylpiperidin-4-yl)propan-1-one;dihydrochloride
CID 154899916
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CID 26398707
1-(4-benzylpiperazin-1-yl)-3-[1-(cyclopentene-1-carbonyl)piperidin-3-yl]propan-1-one
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1-(4-benzylpiperazin-1-yl)-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]propan-1-one
CID 45188039
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride (CID 154899721) is 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride is Cl.Cl.O=C(CCC1CCCN(C2CCNCC2)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride?
The InChIKey is WXYGAPOJOPQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O.2ClH/c29-24(27-17-15-26(16-18-27)19-21-5-2-1-3-6-21)9-8-22-7-4-14-28(20-22)23-10-12-25-13-11-23;;/h1-3,5-6,22-23,25H,4,7-20H2;2*1H.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride?
1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride has a molecular weight of 471.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 154899721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).