5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one

C16H22N4O — CID 61440898

IUPAC5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1N1CCN(CC3CC3)CC1)NC(=O)C2
InChIInChI=1S/C16H22N4O/c17-13-7-12-8-16(21)18-14(12)9-15(13)20-5-3-19(4-6-20)10-11-1-2-11/h7,9,11H,1-6,8,10,17H2,(H,18,21)
InChIKeyKBBHOPNHENZLEV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.30
Rot. Bonds3

About 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one

5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 61440898) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one
PubChem CID61440898
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1N1CCN(CC3CC3)CC1)NC(=O)C2
InChIInChI=1S/C16H22N4O/c17-13-7-12-8-16(21)18-14(12)9-15(13)20-5-3-19(4-6-20)10-11-1-2-11/h7,9,11H,1-6,8,10,17H2,(H,18,21)
InChIKeyKBBHOPNHENZLEV-UHFFFAOYSA-N
XLogP1.30
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one (CID 61440898) is 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one is Nc1cc2c(cc1N1CCN(CC3CC3)CC1)NC(=O)C2.
What is the InChIKey of 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is KBBHOPNHENZLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-13-7-12-8-16(21)18-14(12)9-15(13)20-5-3-19(4-6-20)10-11-1-2-11/h7,9,11H,1-6,8,10,17H2,(H,18,21).
What are the key properties of 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one?
5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61440898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).