1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one

C15H27N3O — CID 120844641

IUPAC1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCC1(CN2CCCC(N3CCNCC3=O)C2)CCC1
InChIInChI=1S/C15H27N3O/c1-15(5-3-6-15)12-17-8-2-4-13(11-17)18-9-7-16-10-14(18)19/h13,16H,2-12H2,1H3
InChIKeyBKRNKJDEMIMMIO-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.07
Rot. Bonds3

About 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one

1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one (PubChem CID 120844641) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one
PubChem CID120844641
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCC1(CN2CCCC(N3CCNCC3=O)C2)CCC1
InChIInChI=1S/C15H27N3O/c1-15(5-3-6-15)12-17-8-2-4-13(11-17)18-9-7-16-10-14(18)19/h13,16H,2-12H2,1H3
InChIKeyBKRNKJDEMIMMIO-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one (CID 120844641) is 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one is CC1(CN2CCCC(N3CCNCC3=O)C2)CCC1.
What is the InChIKey of 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is BKRNKJDEMIMMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(5-3-6-15)12-17-8-2-4-13(11-17)18-9-7-16-10-14(18)19/h13,16H,2-12H2,1H3.
What are the key properties of 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one?
1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 265.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120844641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).