5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one

C27H31FN2O3 — CID 24817042

IUPAC5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C27H31FN2O3/c1-20(31)27(23-7-3-2-4-8-23)13-16-29(17-14-27)26(33)22-10-11-25(32)30(19-22)15-12-21-6-5-9-24(28)18-21/h2-9,18,22H,10-17,19H2,1H3
InChIKeyVQGVDSJADNOPFI-UHFFFAOYSA-N
MW450.55 g/mol
LogP3.76
Rot. Bonds6

About 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one

5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one (PubChem CID 24817042) has the molecular formula C27H31FN2O3 and a molecular weight of 450.55 g/mol. Its IUPAC name is 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one
PubChem CID24817042
Molecular FormulaC27H31FN2O3
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC Name5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C27H31FN2O3/c1-20(31)27(23-7-3-2-4-8-23)13-16-29(17-14-27)26(33)22-10-11-25(32)30(19-22)15-12-21-6-5-9-24(28)18-21/h2-9,18,22H,10-17,19H2,1H3
InChIKeyVQGVDSJADNOPFI-UHFFFAOYSA-N
XLogP3.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one?
The IUPAC name of 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one (CID 24817042) is 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one?
The canonical SMILES for 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one is CC(=O)C1(c2ccccc2)CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one?
The InChIKey is VQGVDSJADNOPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O3/c1-20(31)27(23-7-3-2-4-8-23)13-16-29(17-14-27)26(33)22-10-11-25(32)30(19-22)15-12-21-6-5-9-24(28)18-21/h2-9,18,22H,10-17,19H2,1H3.
What are the key properties of 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one?
5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one has a molecular weight of 450.55 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-[2-(3-fluorophenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 24817042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).