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

C17H24N2O2 — CID 56779852

IUPAC2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H24N2O2/c1-13(20)12-18-7-9-19(10-8-18)17(21)16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,20H,2-4,7-10,12H2,1H3
InChIKeyQGUWPWAAYHQIEE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.31
Rot. Bonds3

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

2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779852) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779852
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H24N2O2/c1-13(20)12-18-7-9-19(10-8-18)17(21)16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,20H,2-4,7-10,12H2,1H3
InChIKeyQGUWPWAAYHQIEE-UHFFFAOYSA-N
XLogP1.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43251620
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazine-1-carboxamide
CID 38724077
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-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
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
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
2,3-dihydro-1H-inden-5-yl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810059
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
CID 119520750

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779852) is 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is QGUWPWAAYHQIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)12-18-7-9-19(10-8-18)17(21)16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,20H,2-4,7-10,12H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).