(4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone

C14H25N3O — CID 68817963

IUPAC(4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C14H25N3O/c18-14(16-7-2-1-3-8-16)17-11-9-15(10-12-17)13-5-4-6-13/h13H,1-12H2
InChIKeyCXCIQAKFUXKJSR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds1

About (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone

(4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone (PubChem CID 68817963) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone
PubChem CID68817963
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C14H25N3O/c18-14(16-7-2-1-3-8-16)17-11-9-15(10-12-17)13-5-4-6-13/h13H,1-12H2
InChIKeyCXCIQAKFUXKJSR-UHFFFAOYSA-N
XLogP1.76
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone (CID 68817963) is (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is CXCIQAKFUXKJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14(16-7-2-1-3-8-16)17-11-9-15(10-12-17)13-5-4-6-13/h13H,1-12H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone?
(4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 251.37 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 68817963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).