1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one

C14H27N3O — CID 56750138

IUPAC1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one
SMILESCCCCN1CCN(CC2CCNCC2)CC1=O
InChIInChI=1S/C14H27N3O/c1-2-3-8-17-10-9-16(12-14(17)18)11-13-4-6-15-7-5-13/h13,15H,2-12H2,1H3
InChIKeyDBBGERKISUEINB-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds5

About 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one

1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one (PubChem CID 56750138) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one
PubChem CID56750138
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one
SMILESCCCCN1CCN(CC2CCNCC2)CC1=O
InChIInChI=1S/C14H27N3O/c1-2-3-8-17-10-9-16(12-14(17)18)11-13-4-6-15-7-5-13/h13,15H,2-12H2,1H3
InChIKeyDBBGERKISUEINB-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one (CID 56750138) is 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one is CCCCN1CCN(CC2CCNCC2)CC1=O.
What is the InChIKey of 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one?
The InChIKey is DBBGERKISUEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-3-8-17-10-9-16(12-14(17)18)11-13-4-6-15-7-5-13/h13,15H,2-12H2,1H3.
What are the key properties of 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one?
1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one has a molecular weight of 253.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(piperidin-4-ylmethyl)piperazin-2-one is sourced from PubChem (CID 56750138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).