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

C21H31N3O3 — CID 24793163

IUPAC5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-27-16-15-22-11-13-23(14-12-22)21(26)19-7-8-20(25)24(17-19)10-9-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
InChIKeyMRDAEAVPEFIPEH-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.26
Rot. Bonds7

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

5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 24793163) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID24793163
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCOCCN1CCN(C(=O)C2CCC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-27-16-15-22-11-13-23(14-12-22)21(26)19-7-8-20(25)24(17-19)10-9-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
InChIKeyMRDAEAVPEFIPEH-UHFFFAOYSA-N
XLogP1.26
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.26
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-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one (CID 24793163) is 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one is COCCN1CCN(C(=O)C2CCC(=O)N(CCc3ccccc3)C2)CC1.
What is the InChIKey of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is MRDAEAVPEFIPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-16-15-22-11-13-23(14-12-22)21(26)19-7-8-20(25)24(17-19)10-9-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3.
What are the key properties of 5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one?
5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 1.26, 7 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-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 24793163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).