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

C15H29N3O — CID 99714681

IUPAC1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-15(19)18-13-11-17(12-14-18)10-6-9-16-7-4-3-5-8-16/h2-14H2,1H3
InChIKeyXCYTXIRWZHHXHA-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.42
Rot. Bonds5

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

1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 99714681) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one
PubChem CID99714681
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-15(19)18-13-11-17(12-14-18)10-6-9-16-7-4-3-5-8-16/h2-14H2,1H3
InChIKeyXCYTXIRWZHHXHA-UHFFFAOYSA-N
XLogP1.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one (CID 99714681) is 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCCN2CCCCC2)CC1.
What is the InChIKey of 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is XCYTXIRWZHHXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-15(19)18-13-11-17(12-14-18)10-6-9-16-7-4-3-5-8-16/h2-14H2,1H3.
What are the key properties of 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one?
1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 99714681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).