2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride

C20H38Cl2N4O2 — CID 24842221

IUPAC2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCN(C(=O)CCN2CCCCC2)CC1)N1CCCCC1.Cl.Cl
InChIInChI=1S/C20H36N4O2.2ClH/c1-18(22-11-6-3-7-12-22)20(26)24-16-14-23(15-17-24)19(25)8-13-21-9-4-2-5-10-21;;/h18H,2-17H2,1H3;2*1H
InChIKeyIKBATNGKFMUIPO-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.25
Rot. Bonds5

About 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride

2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 24842221) has the molecular formula C20H38Cl2N4O2 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID24842221
Molecular FormulaC20H38Cl2N4O2
Molecular Weight437.46 g/mol
Exact Mass436.24
IUPAC Name2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCN(C(=O)CCN2CCCCC2)CC1)N1CCCCC1.Cl.Cl
InChIInChI=1S/C20H36N4O2.2ClH/c1-18(22-11-6-3-7-12-22)20(26)24-16-14-23(15-17-24)19(25)8-13-21-9-4-2-5-10-21;;/h18H,2-17H2,1H3;2*1H
InChIKeyIKBATNGKFMUIPO-UHFFFAOYSA-N
XLogP2.25
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 24842221) is 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride is CC(C(=O)N1CCN(C(=O)CCN2CCCCC2)CC1)N1CCCCC1.Cl.Cl.
What is the InChIKey of 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is IKBATNGKFMUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.2ClH/c1-18(22-11-6-3-7-12-22)20(26)24-16-14-23(15-17-24)19(25)8-13-21-9-4-2-5-10-21;;/h18H,2-17H2,1H3;2*1H.
What are the key properties of 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride?
2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 437.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 24842221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).