1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

C18H25N3O2 — CID 92710234

IUPAC1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCCN1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1
InChIInChI=1S/C18H25N3O2/c1-3-8-19-9-11-20(12-10-19)18(23)17-13-15-6-4-5-7-16(15)21(17)14(2)22/h4-7,17H,3,8-13H2,1-2H3/t17-/m0/s1
InChIKeyWCKCPRKRXYAQJH-KRWDZBQOSA-N
MW315.42 g/mol
LogP1.52
Rot. Bonds3

About 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 92710234) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID92710234
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCCN1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1
InChIInChI=1S/C18H25N3O2/c1-3-8-19-9-11-20(12-10-19)18(23)17-13-15-6-4-5-7-16(15)21(17)14(2)22/h4-7,17H,3,8-13H2,1-2H3/t17-/m0/s1
InChIKeyWCKCPRKRXYAQJH-KRWDZBQOSA-N
XLogP1.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 110023787
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86881473
(2S)-1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 92765074
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (CID 92710234) is 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is CCCN1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1.
What is the InChIKey of 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WCKCPRKRXYAQJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-8-19-9-11-20(12-10-19)18(23)17-13-15-6-4-5-7-16(15)21(17)14(2)22/h4-7,17H,3,8-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 92710234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).