4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one

C11H20N4O2 — CID 62837528

IUPAC4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CCCNCC2)CCN1
InChIInChI=1S/C11H20N4O2/c16-10-8-15(7-4-13-10)11(17)9-14-5-1-2-12-3-6-14/h12H,1-9H2,(H,13,16)
InChIKeyMJWOEALTJWVCAT-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.76
Rot. Bonds2

About 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one

4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one (PubChem CID 62837528) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one
PubChem CID62837528
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CCCNCC2)CCN1
InChIInChI=1S/C11H20N4O2/c16-10-8-15(7-4-13-10)11(17)9-14-5-1-2-12-3-6-14/h12H,1-9H2,(H,13,16)
InChIKeyMJWOEALTJWVCAT-UHFFFAOYSA-N
XLogP-1.76
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one (CID 62837528) is 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one is O=C1CN(C(=O)CN2CCCNCC2)CCN1.
What is the InChIKey of 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one?
The InChIKey is MJWOEALTJWVCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c16-10-8-15(7-4-13-10)11(17)9-14-5-1-2-12-3-6-14/h12H,1-9H2,(H,13,16).
What are the key properties of 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one?
4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one has a molecular weight of 240.31 g/mol, XLogP of -1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 62837528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).