(1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone

C18H24N2O2 — CID 3795136

IUPAC(1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1)N1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C18H24N2O2/c21-17(15-8-3-1-4-9-15)20-13-7-10-16(14-20)18(22)19-11-5-2-6-12-19/h1,3-4,8-9,16H,2,5-7,10-14H2
InChIKeyCFJGGOOUZBEXMO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.55
Rot. Bonds2

About (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone

(1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone (PubChem CID 3795136) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone
PubChem CID3795136
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1)N1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C18H24N2O2/c21-17(15-8-3-1-4-9-15)20-13-7-10-16(14-20)18(22)19-11-5-2-6-12-19/h1,3-4,8-9,16H,2,5-7,10-14H2
InChIKeyCFJGGOOUZBEXMO-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone (CID 3795136) is (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone is O=C(c1ccccc1)N1CCCC(C(=O)N2CCCCC2)C1.
What is the InChIKey of (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone?
The InChIKey is CFJGGOOUZBEXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(15-8-3-1-4-9-15)20-13-7-10-16(14-20)18(22)19-11-5-2-6-12-19/h1,3-4,8-9,16H,2,5-7,10-14H2.
What are the key properties of (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone?
(1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone has a molecular weight of 300.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 3795136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).