5-piperazin-1-yl-1-propyl-3H-indol-2-one

C15H21N3O — CID 117099888

IUPAC5-piperazin-1-yl-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)Cc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C15H21N3O/c1-2-7-18-14-4-3-13(10-12(14)11-15(18)19)17-8-5-16-6-9-17/h3-4,10,16H,2,5-9,11H2,1H3
InChIKeyXKRBTCHPHJLNNN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.40
Rot. Bonds3

About 5-piperazin-1-yl-1-propyl-3H-indol-2-one

5-piperazin-1-yl-1-propyl-3H-indol-2-one (PubChem CID 117099888) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-piperazin-1-yl-1-propyl-3H-indol-2-one.

Molecular Properties

Compound Name5-piperazin-1-yl-1-propyl-3H-indol-2-one
PubChem CID117099888
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-piperazin-1-yl-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)Cc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C15H21N3O/c1-2-7-18-14-4-3-13(10-12(14)11-15(18)19)17-8-5-16-6-9-17/h3-4,10,16H,2,5-9,11H2,1H3
InChIKeyXKRBTCHPHJLNNN-UHFFFAOYSA-N
XLogP1.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-piperazin-1-yl-3H-indol-2-one
CID 117099892
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one
CID 53014656
2-ethyl-5-piperazin-1-ylisoindole-1,3-dione
CID 117006287
7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39163399
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
5-iodo-1-nonyl-3H-indol-2-one
CID 79784933
5-amino-1-decyl-3H-indol-2-one
CID 62221874
2-(4-chlorophenyl)-5-(cyclopropylmethyl)-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
CID 53251480
6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 110414460
5-(1,4-diazepan-1-yl)-2-methyl-3H-isoindol-1-one
CID 69363809
4-(3-hydroxypropyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 39163477

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-1-propyl-3H-indol-2-one?
The IUPAC name of 5-piperazin-1-yl-1-propyl-3H-indol-2-one (CID 117099888) is 5-piperazin-1-yl-1-propyl-3H-indol-2-one.
What is the SMILES notation for 5-piperazin-1-yl-1-propyl-3H-indol-2-one?
The canonical SMILES for 5-piperazin-1-yl-1-propyl-3H-indol-2-one is CCCN1C(=O)Cc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 5-piperazin-1-yl-1-propyl-3H-indol-2-one?
The InChIKey is XKRBTCHPHJLNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-7-18-14-4-3-13(10-12(14)11-15(18)19)17-8-5-16-6-9-17/h3-4,10,16H,2,5-9,11H2,1H3.
What are the key properties of 5-piperazin-1-yl-1-propyl-3H-indol-2-one?
5-piperazin-1-yl-1-propyl-3H-indol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-1-propyl-3H-indol-2-one is sourced from PubChem (CID 117099888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).