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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Related Compounds

1-(1,4-diazepan-1-yl)-2-(3-oxopiperazin-1-yl)ethane-1,2-dione
CID 43145084
4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one
CID 36800649
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-(1,4-diazepan-1-yl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62833648
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
2-(1,4-diazepan-1-yl)-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106668995
4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one
CID 167866215
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 55123228
2-[4-(3-oxopiperazine-1-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62824824
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
4-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 154775681

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).