4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one

C16H23N3O2 — CID 34557661

IUPAC4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one
SMILESCC(C)N(CC(=O)N1CCNC(=O)C1)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(2)19(10-14-6-4-3-5-7-14)12-16(21)18-9-8-17-15(20)11-18/h3-7,13H,8-12H2,1-2H3,(H,17,20)
InChIKeyNFZFOMABLUWARY-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.86
Rot. Bonds5

About 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one

4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one (PubChem CID 34557661) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one
PubChem CID34557661
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one
SMILESCC(C)N(CC(=O)N1CCNC(=O)C1)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(2)19(10-14-6-4-3-5-7-14)12-16(21)18-9-8-17-15(20)11-18/h3-7,13H,8-12H2,1-2H3,(H,17,20)
InChIKeyNFZFOMABLUWARY-UHFFFAOYSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one (CID 34557661) is 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one is CC(C)N(CC(=O)N1CCNC(=O)C1)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one?
The InChIKey is NFZFOMABLUWARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)19(10-14-6-4-3-5-7-14)12-16(21)18-9-8-17-15(20)11-18/h3-7,13H,8-12H2,1-2H3,(H,17,20).
What are the key properties of 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one?
4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one has a molecular weight of 289.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one is sourced from PubChem (CID 34557661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).