2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one

C22H30N4O — CID 126937730

IUPAC2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCCCC2CNC2Cc3ccccc3C2)n1
InChIInChI=1S/C22H30N4O/c1-17-9-10-22(27)26(24-17)13-12-25-11-5-4-8-21(25)16-23-20-14-18-6-2-3-7-19(18)15-20/h2-3,6-7,9-10,20-21,23H,4-5,8,11-16H2,1H3
InChIKeyFTQZMZRETGAHBF-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.16
Rot. Bonds6

About 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126937730) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126937730
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCCCC2CNC2Cc3ccccc3C2)n1
InChIInChI=1S/C22H30N4O/c1-17-9-10-22(27)26(24-17)13-12-25-11-5-4-8-21(25)16-23-20-14-18-6-2-3-7-19(18)15-20/h2-3,6-7,9-10,20-21,23H,4-5,8,11-16H2,1H3
InChIKeyFTQZMZRETGAHBF-UHFFFAOYSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one 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

6-methyl-2-[2-[2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937746
6-tert-butyl-2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937906
2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937686
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937711
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193700
4-methyl-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126937638
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126937610
4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126937766
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide
CID 126937660
2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938267
6-tert-butyl-2-[2-[2-[[(6-methylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937882
2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one
CID 62925137

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126937730) is 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCCCC2CNC2Cc3ccccc3C2)n1.
What is the InChIKey of 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is FTQZMZRETGAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-9-10-22(27)26(24-17)13-12-25-11-5-4-8-21(25)16-23-20-14-18-6-2-3-7-19(18)15-20/h2-3,6-7,9-10,20-21,23H,4-5,8,11-16H2,1H3.
What are the key properties of 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 366.51 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126937730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).