4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one

C16H25N3O — CID 21448541

IUPAC4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one
SMILESCCN(CC)N1CCNC(=O)C1(CC)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-4-16(14-10-8-7-9-11-14)15(20)17-12-13-19(16)18(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3,(H,17,20)
InChIKeySJQSDYWSFJUHMB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.98
Rot. Bonds5

About 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one

4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one (PubChem CID 21448541) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one
PubChem CID21448541
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one
SMILESCCN(CC)N1CCNC(=O)C1(CC)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-4-16(14-10-8-7-9-11-14)15(20)17-12-13-19(16)18(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3,(H,17,20)
InChIKeySJQSDYWSFJUHMB-UHFFFAOYSA-N
XLogP1.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one?
The IUPAC name of 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one (CID 21448541) is 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one?
The canonical SMILES for 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one is CCN(CC)N1CCNC(=O)C1(CC)c1ccccc1.
What is the InChIKey of 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one?
The InChIKey is SJQSDYWSFJUHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-16(14-10-8-7-9-11-14)15(20)17-12-13-19(16)18(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3,(H,17,20).
What are the key properties of 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one?
4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one has a molecular weight of 275.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3-ethyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 21448541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).