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

C20H36N4O2 — CID 141069990

IUPAC3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1)N1CCN(C(=O)CCN2CCCCC2)CC1
InChIInChI=1S/C20H36N4O2/c25-19(7-13-21-9-3-1-4-10-21)23-15-17-24(18-16-23)20(26)8-14-22-11-5-2-6-12-22/h1-18H2
InChIKeySKICJCHMJLVBLD-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.41
Rot. Bonds6

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

3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 141069990) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
PubChem CID141069990
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1)N1CCN(C(=O)CCN2CCCCC2)CC1
InChIInChI=1S/C20H36N4O2/c25-19(7-13-21-9-3-1-4-10-21)23-15-17-24(18-16-23)20(26)8-14-22-11-5-2-6-12-22/h1-18H2
InChIKeySKICJCHMJLVBLD-UHFFFAOYSA-N
XLogP1.41
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.41
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-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one (CID 141069990) is 3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCCCC1)N1CCN(C(=O)CCN2CCCCC2)CC1.
What is the InChIKey of 3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is SKICJCHMJLVBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c25-19(7-13-21-9-3-1-4-10-21)23-15-17-24(18-16-23)20(26)8-14-22-11-5-2-6-12-22/h1-18H2.
What are the key properties of 3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one?
3-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one has a molecular weight of 364.53 g/mol, XLogP of 1.41, 6 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-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 141069990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).