4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one

C25H31N5O2 — CID 45210614

IUPAC4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one
SMILESO=C1NCCN(C2Cc3ccccc3C2)C1CC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C25H31N5O2/c31-24(29-12-10-28(11-13-29)18-19-4-3-7-26-17-19)16-23-25(32)27-8-9-30(23)22-14-20-5-1-2-6-21(20)15-22/h1-7,17,22-23H,8-16,18H2,(H,27,32)
InChIKeyZSFGSZRFINTPKX-UHFFFAOYSA-N
MW433.56 g/mol
LogP1.08
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one

4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one (PubChem CID 45210614) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one
PubChem CID45210614
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one
SMILESO=C1NCCN(C2Cc3ccccc3C2)C1CC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C25H31N5O2/c31-24(29-12-10-28(11-13-29)18-19-4-3-7-26-17-19)16-23-25(32)27-8-9-30(23)22-14-20-5-1-2-6-21(20)15-22/h1-7,17,22-23H,8-16,18H2,(H,27,32)
InChIKeyZSFGSZRFINTPKX-UHFFFAOYSA-N
XLogP1.08
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-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

Related Compounds

4-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 74229773
ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 45208259
3-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 45167725
3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 118986171
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 19572710
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 25375478
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(3-methylpentan-3-yl)acetamide
CID 56895438
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 50984132
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 56901016
2-(4-chlorophenyl)sulfanyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045018
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-(tetrazolidin-5-yl)phenyl]methanone
CID 133108283

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one (CID 45210614) is 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one is O=C1NCCN(C2Cc3ccccc3C2)C1CC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one?
The InChIKey is ZSFGSZRFINTPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-24(29-12-10-28(11-13-29)18-19-4-3-7-26-17-19)16-23-25(32)27-8-9-30(23)22-14-20-5-1-2-6-21(20)15-22/h1-7,17,22-23H,8-16,18H2,(H,27,32).
What are the key properties of 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one?
4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one has a molecular weight of 433.56 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one is sourced from PubChem (CID 45210614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).