4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one

C17H26N4O2 — CID 60536990

IUPAC4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one
SMILESCCN(CC)Cc1ccccc1NCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C17H26N4O2/c1-3-20(4-2)12-14-7-5-6-8-15(14)19-11-17(23)21-10-9-18-16(22)13-21/h5-8,19H,3-4,9-13H2,1-2H3,(H,18,22)
InChIKeyCNAXRODBZAOTRM-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.90
Rot. Bonds7

About 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one

4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one (PubChem CID 60536990) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one
PubChem CID60536990
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one
SMILESCCN(CC)Cc1ccccc1NCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C17H26N4O2/c1-3-20(4-2)12-14-7-5-6-8-15(14)19-11-17(23)21-10-9-18-16(22)13-21/h5-8,19H,3-4,9-13H2,1-2H3,(H,18,22)
InChIKeyCNAXRODBZAOTRM-UHFFFAOYSA-N
XLogP0.90
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one (CID 60536990) is 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one is CCN(CC)Cc1ccccc1NCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one?
The InChIKey is CNAXRODBZAOTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-20(4-2)12-14-7-5-6-8-15(14)19-11-17(23)21-10-9-18-16(22)13-21/h5-8,19H,3-4,9-13H2,1-2H3,(H,18,22).
What are the key properties of 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one?
4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one has a molecular weight of 318.42 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(diethylaminomethyl)anilino]acetyl]piperazin-2-one is sourced from PubChem (CID 60536990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).