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

C19H36Cl2N4O2 — CID 3021272

IUPAC3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C19H34N4O2.2ClH/c24-18(7-12-20-8-3-1-4-9-20)22-13-15-23(16-14-22)19(25)17-21-10-5-2-6-11-21;;/h1-17H2;2*1H
InChIKeyDOPJURRPSNCSKN-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.86
Rot. Bonds5

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

3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 3021272) has the molecular formula C19H36Cl2N4O2 and a molecular weight of 423.43 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID3021272
Molecular FormulaC19H36Cl2N4O2
Molecular Weight423.43 g/mol
Exact Mass422.22
IUPAC Name3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C19H34N4O2.2ClH/c24-18(7-12-20-8-3-1-4-9-20)22-13-15-23(16-14-22)19(25)17-21-10-5-2-6-11-21;;/h1-17H2;2*1H
InChIKeyDOPJURRPSNCSKN-UHFFFAOYSA-N
XLogP1.86
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 3021272) is 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride is Cl.Cl.O=C(CCN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1.
What is the InChIKey of 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is DOPJURRPSNCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.2ClH/c24-18(7-12-20-8-3-1-4-9-20)22-13-15-23(16-14-22)19(25)17-21-10-5-2-6-11-21;;/h1-17H2;2*1H.
What are the key properties of 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride?
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 423.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 3021272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).