5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one

C22H33N3O3 — CID 24817160

IUPAC5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1
InChIInChI=1S/C22H33N3O3/c1-28-17-16-23-12-14-24(15-13-23)22(27)20-9-10-21(26)25(18-20)11-5-8-19-6-3-2-4-7-19/h2-4,6-7,20H,5,8-18H2,1H3
InChIKeyIAFLOKPLAJRNQV-UHFFFAOYSA-N
MW387.52 g/mol
LogP1.65
Rot. Bonds8

About 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one

5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one (PubChem CID 24817160) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
PubChem CID24817160
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1
InChIInChI=1S/C22H33N3O3/c1-28-17-16-23-12-14-24(15-13-23)22(27)20-9-10-21(26)25(18-20)11-5-8-19-6-3-2-4-7-19/h2-4,6-7,20H,5,8-18H2,1H3
InChIKeyIAFLOKPLAJRNQV-UHFFFAOYSA-N
XLogP1.65
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one?
The IUPAC name of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one (CID 24817160) is 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one.
What is the SMILES notation for 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one?
The canonical SMILES for 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one is COCCN1CCN(C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)CC1.
What is the InChIKey of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one?
The InChIKey is IAFLOKPLAJRNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-28-17-16-23-12-14-24(15-13-23)22(27)20-9-10-21(26)25(18-20)11-5-8-19-6-3-2-4-7-19/h2-4,6-7,20H,5,8-18H2,1H3.
What are the key properties of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one?
5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one has a molecular weight of 387.52 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one is sourced from PubChem (CID 24817160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).