3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C15H29N3O — CID 59204913

IUPAC3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCN2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-14(2)17-10-12-18(13-11-17)15(19)6-9-16-7-4-3-5-8-16/h14H,3-13H2,1-2H3
InChIKeyAPDMLKKBTRFYFR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.41
Rot. Bonds4

About 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 59204913) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID59204913
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCN2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-14(2)17-10-12-18(13-11-17)15(19)6-9-16-7-4-3-5-8-16/h14H,3-13H2,1-2H3
InChIKeyAPDMLKKBTRFYFR-UHFFFAOYSA-N
XLogP1.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 59204913) is 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(=O)CCN2CCCCC2)CC1.
What is the InChIKey of 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is APDMLKKBTRFYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(2)17-10-12-18(13-11-17)15(19)6-9-16-7-4-3-5-8-16/h14H,3-13H2,1-2H3.
What are the key properties of 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 59204913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).