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

C20H36N4O2 — CID 24842222

IUPAC2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(C(=O)CCN2CCCCC2)CC1)N1CCCCC1
InChIInChI=1S/C20H36N4O2/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
InChIKeyDVIHUICXRFWQBL-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.41
Rot. Bonds5

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

2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 24842222) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
PubChem CID24842222
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(C(=O)CCN2CCCCC2)CC1)N1CCCCC1
InChIInChI=1S/C20H36N4O2/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
InChIKeyDVIHUICXRFWQBL-UHFFFAOYSA-N
XLogP1.41
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one (CID 24842222) is 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCN(C(=O)CCN2CCCCC2)CC1)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is DVIHUICXRFWQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/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.
What are the key properties of 2-piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one?
2-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, 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 is sourced from PubChem (CID 24842222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).