1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one

C13H17N3O — CID 84794590

IUPAC1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one
SMILESNC1(c2cccc(N3CCNCC3=O)c2)CC1
InChIInChI=1S/C13H17N3O/c14-13(4-5-13)10-2-1-3-11(8-10)16-7-6-15-9-12(16)17/h1-3,8,15H,4-7,9,14H2
InChIKeyVWTVCWDRJRKKLP-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.57
Rot. Bonds2

About 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one

1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one (PubChem CID 84794590) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one
PubChem CID84794590
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one
SMILESNC1(c2cccc(N3CCNCC3=O)c2)CC1
InChIInChI=1S/C13H17N3O/c14-13(4-5-13)10-2-1-3-11(8-10)16-7-6-15-9-12(16)17/h1-3,8,15H,4-7,9,14H2
InChIKeyVWTVCWDRJRKKLP-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117438285
2-[3-(2-oxopiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518984
1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one
CID 117438752
methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
CID 117414843
1-[3-(1-aminocyclopropyl)phenyl]-2-methylpyrazolidin-3-one
CID 84794584
1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
CID 117340740
1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
CID 117436479
3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one
CID 84783968
1-(4-iodophenyl)piperazin-2-one
CID 86225191
1-phenyl-1,4-diazepan-2-one
CID 69457460
1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one
CID 146536682
1-(4-methoxyphenyl)piperazin-2-one
CID 15400020

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one?
The IUPAC name of 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one (CID 84794590) is 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one.
What is the SMILES notation for 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one?
The canonical SMILES for 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one is NC1(c2cccc(N3CCNCC3=O)c2)CC1.
What is the InChIKey of 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one?
The InChIKey is VWTVCWDRJRKKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13(4-5-13)10-2-1-3-11(8-10)16-7-6-15-9-12(16)17/h1-3,8,15H,4-7,9,14H2.
What are the key properties of 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one?
1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one is sourced from PubChem (CID 84794590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).