1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C16H19ClN6O — CID 166341923

IUPAC1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C2CCc3c(Cl)cccc32)CC1
InChIInChI=1S/C16H19ClN6O/c17-14-3-1-2-13-12(14)4-5-15(13)21-6-8-22(9-7-21)16(24)10-23-11-18-19-20-23/h1-3,11,15H,4-10H2
InChIKeyLSGBWLGYHYSWHW-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.16
Rot. Bonds3

About 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 166341923) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID166341923
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C2CCc3c(Cl)cccc32)CC1
InChIInChI=1S/C16H19ClN6O/c17-14-3-1-2-13-12(14)4-5-15(13)21-6-8-22(9-7-21)16(24)10-23-11-18-19-20-23/h1-3,11,15H,4-10H2
InChIKeyLSGBWLGYHYSWHW-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 166341923) is 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(C2CCc3c(Cl)cccc32)CC1.
What is the InChIKey of 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is LSGBWLGYHYSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c17-14-3-1-2-13-12(14)4-5-15(13)21-6-8-22(9-7-21)16(24)10-23-11-18-19-20-23/h1-3,11,15H,4-10H2.
What are the key properties of 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 346.82 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 166341923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).