[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone

C16H23N3O — CID 43251620

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESNCCN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C16H23N3O/c17-6-7-18-8-10-19(11-9-18)16(20)15-5-4-13-2-1-3-14(13)12-15/h4-5,12H,1-3,6-11,17H2
InChIKeyJYOFFLZKJKXDOT-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.89
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone

[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 43251620) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID43251620
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESNCCN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C16H23N3O/c17-6-7-18-8-10-19(11-9-18)16(20)15-5-4-13-2-1-3-14(13)12-15/h4-5,12H,1-3,6-11,17H2
InChIKeyJYOFFLZKJKXDOT-UHFFFAOYSA-N
XLogP0.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779852
ethyl 4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808962
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
2,3-dihydro-1H-inden-5-yl-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642471
1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 47031244
2,3-dihydro-1H-inden-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 24515375
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 9440777
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]acetamide
CID 86996686
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
2,3-dihydro-1H-inden-5-yl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810059

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (CID 43251620) is [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is NCCN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is JYOFFLZKJKXDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-6-7-18-8-10-19(11-9-18)16(20)15-5-4-13-2-1-3-14(13)12-15/h4-5,12H,1-3,6-11,17H2.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 43251620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).