1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one

C21H23NO2 — CID 23723754

IUPAC1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H23NO2/c1-2-20(23)22-14-6-9-19(15-22)21(24)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3
InChIKeySQWLVPQNCVTYJN-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.18
Rot. Bonds4

About 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one

1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 23723754) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
PubChem CID23723754
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H23NO2/c1-2-20(23)22-14-6-9-19(15-22)21(24)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3
InChIKeySQWLVPQNCVTYJN-UHFFFAOYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one (CID 23723754) is 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is SQWLVPQNCVTYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-20(23)22-14-6-9-19(15-22)21(24)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3.
What are the key properties of 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one?
1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 321.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 23723754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).