1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one

C19H22N2O2 — CID 23225789

IUPAC1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one
SMILESCCN1CCNC(c2ccc(OCc3ccccc3)cc2)C1=O
InChIInChI=1S/C19H22N2O2/c1-2-21-13-12-20-18(19(21)22)16-8-10-17(11-9-16)23-14-15-6-4-3-5-7-15/h3-11,18,20H,2,12-14H2,1H3
InChIKeyPBLDWMMUSFOCGW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.76
Rot. Bonds5

About 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one

1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one (PubChem CID 23225789) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one
PubChem CID23225789
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one
SMILESCCN1CCNC(c2ccc(OCc3ccccc3)cc2)C1=O
InChIInChI=1S/C19H22N2O2/c1-2-21-13-12-20-18(19(21)22)16-8-10-17(11-9-16)23-14-15-6-4-3-5-7-15/h3-11,18,20H,2,12-14H2,1H3
InChIKeyPBLDWMMUSFOCGW-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one?
The IUPAC name of 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one (CID 23225789) is 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one?
The canonical SMILES for 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one is CCN1CCNC(c2ccc(OCc3ccccc3)cc2)C1=O.
What is the InChIKey of 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one?
The InChIKey is PBLDWMMUSFOCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-21-13-12-20-18(19(21)22)16-8-10-17(11-9-16)23-14-15-6-4-3-5-7-15/h3-11,18,20H,2,12-14H2,1H3.
What are the key properties of 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one?
1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one is sourced from PubChem (CID 23225789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).